| Year |
Citation |
Score |
| 2016 |
Allinger NL, Lii JH, Schaefer HF. Molecular Mechanics (MM4) Studies on Unusually Long Carbon-Carbon Bond Distances in Hydrocarbons. Journal of Chemical Theory and Computation. PMID 27164310 DOI: 10.1021/Acs.Jctc.5B00926 |
0.324 |
|
| 2015 |
Lii JH, Allinger NL, Hu CH, Schaefer Iii HF. Catenanes: A molecular mechanics analysis of the (C13 H26 )2 Structure 13-13 D2. Journal of Computational Chemistry. PMID 26511440 DOI: 10.1002/Jcc.24193 |
0.366 |
|
| 2011 |
Allinger NL. Understanding molecular structure from molecular mechanics. Journal of Computer-Aided Molecular Design. 25: 295-316. PMID 21479847 DOI: 10.1007/S10822-011-9422-4 |
0.371 |
|
| 2009 |
Lii JH, Allinger NL. On the heats of formation of alkanes Journal of the Mexican Chemical Society. 53: 96-107. DOI: 10.29356/Jmcs.V53I3.990 |
0.303 |
|
| 2008 |
Lii JH, Allinger NL. The important role of lone-pairs in force field (MM4) calculations on hydrogen bonding in alcohols. The Journal of Physical Chemistry. A. 112: 11903-13. PMID 18942820 DOI: 10.1021/Jp804581H |
0.32 |
|
| 2008 |
Hoshino H, Asami M, Sakakibara K, Lii J, Allinger N. MM3 force field prediction of the enantioselective preference in the asymmetric synthesis of a chiral 2-cyclohexen-1-ol using a chiral lithium amide reagent Tetrahedron. 64: 575-581. DOI: 10.1016/J.Tet.2007.10.110 |
0.325 |
|
| 2007 |
Chen KH, Lii JH, Fan Y, Allinger NL. Molecular mechanics (MM4) study of amines. Journal of Computational Chemistry. 28: 2391-412. PMID 17486561 DOI: 10.1002/Jcc.20737 |
0.396 |
|
| 2006 |
Pawar DM, Brown J, Chen KH, Allinger NL, Noe EA. Conformations of cycloundecane. The Journal of Organic Chemistry. 71: 6512-5. PMID 16901137 DOI: 10.1021/Jo0608422 |
0.353 |
|
| 2006 |
Chen KH, Lii JH, Walker GA, Xie Y, Schaefer HF, Allinger NL. Molecular mechanics (MM4) study of fluorinated hydrocarbons. The Journal of Physical Chemistry. A. 110: 7202-27. PMID 16737272 DOI: 10.1021/Jp060430X |
0.408 |
|
| 2005 |
Lii JH, Chen KH, Johnson GP, French AD, Allinger NL. The external-anomeric torsional effect. Carbohydrate Research. 340: 853-62. PMID 15780251 DOI: 10.1016/J.Carres.2005.01.032 |
0.368 |
|
| 2004 |
Sakakibara K, Naka K, Yamaguchi Y, Asami M, Chen KH, Lii JH, Allinger NL. Molecular Mechanics (MM4) Calculations on [3.3]- and [4.4] Orthoparacyclophanes Journal of Physical Chemistry A. 108: 3048-3055. DOI: 10.1021/Jp031111Y |
0.421 |
|
| 2004 |
Lii JH, Chen KH, Allinger NL. Alcohols, Ethers, Carbohydrates, and Related Compounds Part V. 2 The Bohlmann Torsional Effect Journal of Physical Chemistry A. 108: 3006-3015. DOI: 10.1021/Jp031063H |
0.307 |
|
| 2003 |
Wannere CS, Moran D, Allinger NL, Hess BA, Schaad LJ, Schleyer Pv. On the stability of large [4n]annulenes. Organic Letters. 5: 2983-6. PMID 12916961 DOI: 10.1021/Ol034979F |
0.305 |
|
| 2003 |
Lii JH, Chen KH, Allinger NL. Alcohols, ethers, carbohydrates, and related compounds. IV. Carbohydrates. Journal of Computational Chemistry. 24: 1504-13. PMID 12868113 DOI: 10.1002/Jcc.10271 |
0.417 |
|
| 2003 |
Lii JH, Chen KH, Grindley TB, Allinger NL. Alcohols, ethers, carbohydrates, and related compounds. III. The 1,2-dimethoxyethane system. Journal of Computational Chemistry. 24: 1490-503. PMID 12868112 DOI: 10.1002/Jcc.10270 |
0.428 |
|
| 2003 |
Lii JH, Chen KH, Durkin KA, Allinger NL. Alcohols, ethers, carbohydrates, and related compounds. II. The anomeric effect. Journal of Computational Chemistry. 24: 1473-89. PMID 12868111 DOI: 10.1002/Jcc.10269 |
0.398 |
|
| 2003 |
Allinger NL, Chen KH, Lii JH, Durkin KA. Alcohols, ethers, carbohydrates, and related compounds. I. The MM4 force field for simple compounds. Journal of Computational Chemistry. 24: 1447-72. PMID 12868110 DOI: 10.1002/Jcc.10268 |
0.362 |
|
| 2003 |
Yoshida T, Sakakibara K, Asami M, Chen KH, Lii JH, Allinger NL. Molecular mechanics (MM3) calculations on lithium amide compounds. Journal of Computational Chemistry. 24: 319-27. PMID 12548723 DOI: 10.1002/Jcc.10161 |
0.401 |
|
| 2003 |
Langley CH, Allinger NL. Molecular mechanics (MM4) and ab initio study of amide-amide and amide-water dimers Journal of Physical Chemistry A. 107: 5208-5216. DOI: 10.1021/Jp021764Z |
0.385 |
|
| 2003 |
Langley CH, Lii J, Allinger N. Molecular mechanics (MM4) calculations on carbonyl compounds. I-IV. Journal of Computational Chemistry. 24: 1283-1286. DOI: 10.1002/Jcc.1177 |
0.375 |
|
| 2002 |
Stahl F, Schleyer PV, Jiao H, Schaefer III HF, Chen KH, Allinger NL. Resurrection of neutral tris-homoaromaticity. The Journal of Organic Chemistry. 67: 6599-611. PMID 12227787 DOI: 10.1021/Jo016358A |
0.336 |
|
| 2002 |
Langley CH, Allinger NL. Molecular mechanics (MM4) calculations on amides Journal of Physical Chemistry A. 106: 5638-5652. DOI: 10.1021/Jp014426R |
0.42 |
|
| 2002 |
Chen KH, Allinger NL. Molecular mechanics (MM4) study of saturated four-membered ring hydrocarbons Journal of Molecular Structure: Theochem. 581: 215-237. DOI: 10.1016/S0166-1280(01)00760-6 |
0.417 |
|
| 2001 |
Mastryukov VS, Chen KH, Allinger NL. Pyramidalized cycloalkenes (cyclohexene, cycloheptene, and cis-cyclooctene): An MM4 and ab initio study Journal of Physical Chemistry A. 105: 8562-8566. DOI: 10.1021/Jp011596V |
0.414 |
|
| 2001 |
Langley CH, Lii JH, Allinger NL. Molecular mechanics calculations on carbonyl compounds. IV. Heats of formation Journal of Computational Chemistry. 22: 1476-1483. DOI: 10.1002/Jcc.1101 |
0.307 |
|
| 2001 |
Langley CH, Lii JH, Allinger NL. Molecular mechanics calculations on carbonyl compounds. III. Cycloketones Journal of Computational Chemistry. 22: 1451-1475. DOI: 10.1002/Jcc.1100 |
0.426 |
|
| 2001 |
Langley CH, Lii JH, Allinger NL. Molecular mechanics calculations on carbonyl compounds. II. Open-chain ketones Journal of Computational Chemistry. 22: 1426-1450. DOI: 10.1002/Jcc.1099 |
0.388 |
|
| 2001 |
Langley CH, Lii JH, Allinger NL. Molecular mechanics (MM4) calculations on carbonyl compounds Part I: Aldehydes Journal of Computational Chemistry. 22: 1396-1425. DOI: 10.1002/Jcc.1098 |
0.396 |
|
| 2000 |
Suponitsky KY, Timofeeva TV, Allinger NL. Molecular mechanics calculations of 10-vertex boron cage compounds. Inorganic Chemistry. 39: 3140-7. PMID 11196848 DOI: 10.1021/Ic991155E |
0.348 |
|
| 2000 |
Ma B, Lii JH, Allinger NL. Molecular Polarizabilities and Induced Dipole Moments in Molecular Mechanics Journal of Computational Chemistry. 21: 813-825. DOI: 10.1002/1096-987X(20000730)21:10<813::Aid-Jcc1>3.0.Co;2-T |
0.329 |
|
| 1999 |
Stewart EL, Nevins N, Allinger NL, Bowen JP. Molecular Mechanics (MM3) Calculations on Oxygen-Containing Phosphorus (Coordination IV) Compounds. The Journal of Organic Chemistry. 64: 5350-5360. PMID 11674592 DOI: 10.1021/Jo9808425 |
0.523 |
|
| 1999 |
Chen KH, Walker GA, Allinger NL. A molecular mechanics (MM3) study of fluorinated hydrocarbons Journal of Molecular Structure: Theochem. 490: 87-107. DOI: 10.1016/S0166-1280(99)00079-2 |
0.405 |
|
| 1999 |
Chen KH, Allinger NL, Mastryukov VS. Abnormally long Si-Si bonds in cyclotrisilane derivatives: Nonbonded interactions? Journal of Molecular Structure. 485: 27-31. DOI: 10.1016/S0022-2860(99)00039-3 |
0.361 |
|
| 1999 |
Chen KH, Allinger NL. Molecular mechanics (MM3) study of organogermanes Journal of Physical Organic Chemistry. 12: 528-540. DOI: 10.1002/(Sici)1099-1395(199907)12:7<528::Aid-Poc114>3.0.Co;2-# |
0.305 |
|
| 1999 |
Kulkarni SC, Allinger NL. Molecular mechanics (MM3) study of the lactones of endo‐bicyclo[2.2.2]oct‐5‐ene‐2‐carboxylic acid Journal of Physical Organic Chemistry. 12: 123-129. DOI: 10.1002/(Sici)1099-1395(199902)12:2<123::Aid-Poc105>3.0.Co;2-7 |
0.361 |
|
| 1999 |
Lii JH, Ma B, Allinger NL. Importance of selecting proper basis set in quantum mechanical studies of potential energy surfaces of carbohydrates Journal of Computational Chemistry. 20: 1593-1603. DOI: 10.1002/(Sici)1096-987X(19991130)20:15<1593::Aid-Jcc1>3.0.Co;2-A |
0.33 |
|
| 1998 |
Ma B, Schaefer HF, Allinger NL. Theoretical studies of the potential energy surfaces and compositions of the D-aldo- and D-ketohexoses Journal of the American Chemical Society. 120: 3411-3422. DOI: 10.1021/Ja9713439 |
0.306 |
|
| 1998 |
Hay BP, Yang L, Lii JH, Allinger NL. An extended MM3(96) force field for complexes of the group 1A and 2A cations with ligands bearing conjugated ether donor groups Journal of Molecular Structure: Theochem. 428: 203-219. DOI: 10.1016/S0166-1280(97)00280-7 |
0.326 |
|
| 1998 |
Tai JC, Allinger NL. Effect of inclusion of electron correlation in MM3 studies of cyclic conjugated compounds Journal of Computational Chemistry. 19: 475-487. DOI: 10.1002/(Sici)1096-987X(19980415)19:5<475::Aid-Jcc1>3.0.Co;2-J |
0.388 |
|
| 1997 |
Allinger NL, Fermann JT, Allen WD, Schaefer HF. The torsional conformations of butane: Definitive energetics from ab initio methods Journal of Chemical Physics. 106: 5143-5150. DOI: 10.1063/1.473993 |
0.344 |
|
| 1997 |
Stewart EL, Nevins N, Allinger NL, Bowen JP. Hartree-fock and moller-plesset (MP2) treatment of oxygen-containing phosphorus compounds Journal of Organic Chemistry. 62: 5198-5207. DOI: 10.1021/Jo961212A |
0.456 |
|
| 1997 |
Timofeeva TV, Suponitsky KY, Yanovsky AI, Allinger NL. The MM3 force field for 12-vertex boranes and carboranes Journal of Organometallic Chemistry. 536: 481-488. DOI: 10.1016/S0022-328X(96)06819-2 |
0.402 |
|
| 1997 |
Mastryukov VS, Chen KH, Simonsen SH, Allinger NL, Boggs JE. Ab initio and molecular mechanics studies of thianthrene and similar molecules Journal of Molecular Structure. 413: 1-12. DOI: 10.1016/S0022-2860(97)00164-6 |
0.401 |
|
| 1997 |
Ma B, Allinger NL. Calculation of r(z) structures from r(s) structures Journal of Molecular Structure. 413: 395-404. DOI: 10.1016/S0022-2860(96)09640-8 |
0.365 |
|
| 1997 |
Chen K, Allinger NL. Molecular mechanics calculations (MM3) on silanes Journal of Physical Organic Chemistry. 10: 697-715. DOI: 10.1002/(Sici)1099-1395(199709)10:9<697::Aid-Poc905>3.0.Co;2-3 |
0.366 |
|
| 1997 |
Shim JY, Allinger NL, Bowen JP. Molecular mechanics (MM3) studies of monochloroalkanes Journal of Physical Organic Chemistry. 10: 3-21. DOI: 10.1002/(Sici)1099-1395(199701)10:1<3::Aid-Poc851>3.0.Co;2-A |
0.53 |
|
| 1997 |
Allinger NL, Fan Y. Molecular mechanics studies (MM4) of sulfides and mercaptans Journal of Computational Chemistry. 18: 1827-1847. DOI: 10.1002/(Sici)1096-987X(19971130)18:15<1827::Aid-Jcc1>3.0.Co;2-Q |
0.303 |
|
| 1996 |
Ma B, Allinger NL, Schaefer HF. Spectroscopic constants and potential energy surfaces for silanone (H2SiO), hydroxysilylene (HSiOH), the hydroxysilylene dimer, and the disilynyl radical (Si2H) Journal of Chemical Physics. 105: 5131-5736. DOI: 10.1063/1.472417 |
0.344 |
|
| 1996 |
Ma B, Lii JH, Chen K, Allinger NL. Quantum mechanical and molecular mechanics (MM3) studies of hydrazines Journal of Physical Chemistry. 100: 11297-11304. DOI: 10.1021/Jp960920X |
0.405 |
|
| 1996 |
Buyong M, Lii JH, Schaefer HF, Allinger NL. Systematic comparison of experimental, quantum mechanical, and molecular mechanical bond lengths for organic molecules Journal of Physical Chemistry. 100: 8763-8769. DOI: 10.1021/Jp953630+ |
0.33 |
|
| 1996 |
Shim JY, Allinger NL, Bowen JP. Molecular mechanics (MM3) conformational studies of cyclic and acyclic monochloroalkanes Journal of Organic Chemistry. 61: 9245-9252. DOI: 10.1021/Jo960623O |
0.497 |
|
| 1996 |
Yang L, Allinger NL. MM3 calculations of aromatic heterocyclic compounds: Sulfur-nitrogen containing molecules Journal of Molecular Structure: Theochem. 370: 71-83. DOI: 10.1016/S0166-1280(96)04604-0 |
0.401 |
|
| 1996 |
Timofeeva TV, Mazurek U, Allinger NL. Molecular mechanics calculations on carboranes and metallocarboranes Journal of Molecular Structure: Theochem. 363: 35-42. DOI: 10.1016/0166-1280(95)04380-2 |
0.373 |
|
| 1996 |
Shishkov IF, Mastryukov VS, Chen K, Allinger NL, Gundersen S, Samdal S, Volden HV. Molecular structure and conformations of bicyclopentyl, C5H9-C5H9, as studied by electron diffraction, molecular mechanics and ab initio methods Journal of Molecular Structure. 376: 133-143. DOI: 10.1016/0022-2860(95)09136-X |
0.438 |
|
| 1996 |
Goldstein E, Ma B, Lii JH, Allinger NL. Molecular mechanics calculations (MM3) on nitriles and alkynes Journal of Physical Organic Chemistry. 9: 191-202. DOI: 10.1002/(Sici)1099-1395(199604)9:4<191::Aid-Poc765>3.0.Co;2-9 |
0.368 |
|
| 1996 |
Allinger NL, Fan Y, Varnali T. MM3 calculations on sulfoxides Journal of Physical Organic Chemistry. 9: 159-167. DOI: 10.1002/(Sici)1099-1395(199603)9:3<159::Aid-Poc759>3.0.Co;2-L |
0.318 |
|
| 1996 |
Allinger NL, Chen K, Katzenellenbogen JA, Wilson SR, Anstead GM. Hyperconjugative effects on carbon-carbon bond lengths in molecular mechanics (MM4) Journal of Computational Chemistry. 17: 747-755. DOI: 10.1002/(Sici)1096-987X(199604)17:5/6<747::Aid-Jcc10>3.0.Co;2-5 |
0.346 |
|
| 1996 |
Nevins N, Allinger NL. Molecular mechanics (MM4) vibrational frequency calculations for alkenes and conjugated hydrocarbons Journal of Computational Chemistry. 17: 730-746. DOI: 10.1002/(Sici)1096-987X(199604)17:5/6<730::Aid-Jcc9>3.0.Co;2-V |
0.311 |
|
| 1996 |
Nevins N, Lii JH, Allinger NL. Molecular mechanics (MM4) calculations on conjugated hydrocarbons Journal of Computational Chemistry. 17: 695-729. DOI: 10.1002/(Sici)1096-987X(199604)17:5/6<695::Aid-Jcc8>3.0.Co;2-P |
0.408 |
|
| 1996 |
Nevins N, Chen K, Allinger NL. Molecular mechanics (MM4) calculations on alkenes Journal of Computational Chemistry. 17: 669-694. DOI: 10.1002/(Sici)1096-987X(199604)17:5/6<669::Aid-Jcc7>3.0.Co;2-S |
0.395 |
|
| 1996 |
Allinger NL, Chen K, Lii JH. An improved force field (MM4) for saturated hydrocarbons Journal of Computational Chemistry. 17: 642-668. DOI: 10.1002/(Sici)1096-987X(199604)17:5/6<642::Aid-Jcc6>3.0.Co;2-U |
0.317 |
|
| 1995 |
Sakakibara K, Allinger NL. Molecular mechanics studies (MM3) on the conformations of some derivatives of triptycene Journal of Organic Chemistry. 60: 4044-4050. DOI: 10.1021/Jo00118A022 |
0.403 |
|
| 1995 |
Timofeeva TV, Lii JH, Allinger NL. Molecular mechanics explanation of the metallocene bent sandwich structure Journal of the American Chemical Society. 117: 7452-7459. DOI: 10.1021/Ja00133A018 |
0.339 |
|
| 1994 |
Stewart EL, Foley CK, Allinger NL, Bowen JP. Ab initio calculations with electronic correlation (MP2) on the nucleic acid bases and their methyl derivatives Journal of the American Chemical Society. 116: 7282-7286. DOI: 10.1021/Ja00095A035 |
0.47 |
|
| 1994 |
Thomas HD, Chen K, Allinger NL. Toward a better understanding of covalent bonds: The molecular mechanics calculation of C-H bond lengths and stretching frequencies Journal of the American Chemical Society. 116: 5887-5897. DOI: 10.1021/Ja00092A045 |
0.329 |
|
| 1994 |
Nevins N, Stewart EL, Allinger NL, Bowen JP. Ab initio and molecular mechanics calculations on the inversion of Cs to C2 conformations of 1,3-cycloheptadiene Journal of Physical Chemistry. 98: 2056-2061. DOI: 10.1021/J100059A013 |
0.504 |
|
| 1994 |
Liedle S, Oberhammer H, Allinger NL. The gas-phase structures of some highly strained compounds: di-t-butylmethane, di-t-butylamine and di-t-butyl ketone Journal of Molecular Structure. 317: 69-75. DOI: 10.1016/0022-2860(93)07850-V |
0.31 |
|
| 1994 |
Timofeeva TV, Allinger NL, Buehl M, Mazurek U. Application of molecular mechanics for calculations of metallocarborane molecules Russian Chemical Bulletin. 43: 1795-1801. DOI: 10.1007/Bf00696304 |
0.328 |
|
| 1994 |
Liu R, Zhou X, Allinger NL. Molecular mechanics (MM3) study of the structures and energetics of corannulene (C20H10), cyclopentacorannulene (C22H12) and the hemi-spherical C30H10 Journal of Physical Organic Chemistry. 7: 551-554. DOI: 10.1002/Poc.610071005 |
0.32 |
|
| 1994 |
Zhou X, Allinger NL. Molecular mechanics calculations (MM3) on alkyl iodides Journal of Physical Organic Chemistry. 7: 420-430. DOI: 10.1002/Poc.610070806 |
0.416 |
|
| 1994 |
Fan Y, Allinger NL. Molecular mechanics (MM3) calculations on azoxy compounds Journal of Computational Chemistry. 15: 1446-1460. DOI: 10.1002/Jcc.540151214 |
0.393 |
|
| 1994 |
Allinger NL, Yan L, Chen K. Molecular mechanics calculations (MM2 and MM3) on enamines and aniline derivatives Journal of Computational Chemistry. 15: 1321-1330. DOI: 10.1002/Jcc.540151202 |
0.358 |
|
| 1994 |
Li F, Cui W, Allinger NL. Expanding molecular dynamics simulations to the NMR time scale. I. Studies of conformational interconversions of 1, 1-difluoro-4, 4-dimethylcycloheptane using MM3-MD Journal of Computational Chemistry. 15: 769-781. DOI: 10.1002/Jcc.540150709 |
0.386 |
|
| 1994 |
Liu R, Allinger NL. Molecular mechanics (MM3) calculations on alkyl radicals Journal of Computational Chemistry. 15: 283-299. DOI: 10.1002/Jcc.540150304 |
0.412 |
|
| 1994 |
Allinger NL, Fan Y. Force field calculations (MM3) on glyoxal, quinones, and related compounds Journal of Computational Chemistry. 15: 251-268. DOI: 10.1002/Jcc.540150302 |
0.424 |
|
| 1993 |
Allinger NL, Yan L. Molecular mechanics (MM3). Calculations of furan, vinyl ethers, and related compounds Journal of the American Chemical Society. 115: 11918-11925. DOI: 10.1021/Ja00078A033 |
0.393 |
|
| 1993 |
Tai JC, Yang L, Allinger NL. Molecular mechanics (MM3). Calculations on nitrogen-containing aromatic heterocycles Journal of the American Chemical Society. 115: 11906-11917. DOI: 10.1021/Ja00078A032 |
0.37 |
|
| 1993 |
Zhou X, Liu R, Allinger NL. Ab initio calculation on the structure of the bi(anthracene-9,10-dimethylene) photoisomer: is the longest known carbon-carbon bond in this molecule? Journal of the American Chemical Society. 115: 7525-7526. DOI: 10.1021/Ja00069A071 |
0.316 |
|
| 1993 |
Cui W, Li F, Allinger NL. Simulation of conformational dynamics with the MM3 force field: The pseudorotation of cyclopentane Journal of the American Chemical Society. 115: 2943-2951. DOI: 10.1021/Ja00060A049 |
0.341 |
|
| 1993 |
Chen K, Mastryukov VS, Allinger NL. Molecular structure of tetra-tert-butyltetrahedrane, bitetrahedryl, and hexa-tert-butylbitetrahedryl: experiment and theory (MM3) Journal of Molecular Structure: Theochem. 281: 99-100. DOI: 10.1016/0166-1280(93)87065-L |
0.367 |
|
| 1993 |
Mastryukov VS, Chen K, Yang LR, Allinger NL. Molecular mechanics calculations (MM3) on bicycloalkyl hydrocarbons Journal of Molecular Structure: Theochem. 280: 199-204. DOI: 10.1016/0166-1280(93)80006-L |
0.399 |
|
| 1993 |
Liu R, Allinger NL. Heats of formation of organic molecules by ab initio calculations: Alkyl radicals Journal of Physical Organic Chemistry. 6: 551-554. DOI: 10.1002/Poc.610061004 |
0.32 |
|
| 1993 |
Allinger NL, Fan Y. Molecular mechanics calculations (MM3) on sulfones Journal of Computational Chemistry. 14: 655-666. DOI: 10.1002/Jcc.540140605 |
0.38 |
|
| 1992 |
Fox PC, Phillip Bowen J, Allinger NL. MM3 molecular mechanics study of alkylphosphines Journal of the American Chemical Society. 114: 8536-8544. DOI: 10.1021/Ja00048A028 |
0.384 |
|
| 1992 |
Allinger NL, Zhu ZQS, Chen K. Molecular mechanics (MM3) studies of carboxylic acids and esters 1 Journal of the American Chemical Society. 114: 6120-6133. DOI: 10.1021/Ja00041A033 |
0.375 |
|
| 1992 |
Allinger NL, Schmitz LR, Motoc I, Bender C, Labanowski JK. Heats of formation of organic molecules. 2. The basis for calculations using either ab initio or molecular mechanics methods. alcohols and ethers Journal of the American Chemical Society. 114: 2880-2883. DOI: 10.1021/Ja00034A019 |
0.351 |
|
| 1992 |
Allinger NL, Rodriguez S, Chen K. Molecular mechanics calculations (MM3) on conjugated ketones Journal of Molecular Structure: Theochem. 260: 161-178. DOI: 10.1016/0166-1280(92)87041-W |
0.431 |
|
| 1992 |
Xie Y, Schaefer HF, Aped P, Chen K, Allinger NL. The structure of the bitetrahedryl molecule?A major shift due to electron correlation: Effects of carbonyl substituents, implications for the structure of coupled tricyclo[3.1.0.02,6]hexyl, and extension to cubylcubane International Journal of Quantum Chemistry. 42: 953-963. DOI: 10.1002/Qua.560420430 |
0.374 |
|
| 1992 |
Schmitz LR, Motoc I, Bender C, Labanowski JK, Allinger NL. Heats of formation of organic molecules byab initio calculations. Aldehydes and ketones Journal of Physical Organic Chemistry. 5: 225-229. DOI: 10.1002/Poc.610050502 |
0.315 |
|
| 1992 |
Lii J, Allinger NL. Intensities of infrared bands in molecular mechanics (MM3) Journal of Computational Chemistry. 13: 1138-1141. DOI: 10.1002/Jcc.540130914 |
0.336 |
|
| 1992 |
Allinger NL, Schmitz LR, Motoc I, Bender C, Labanowski JK. Heats of formation of organic molecules byAb Initio calculations: Carboxylic acids and esters Journal of Computational Chemistry. 13: 838-841. DOI: 10.1002/Jcc.540130707 |
0.33 |
|
| 1992 |
Allinger NL, Yang L, Motoc I, Bender C, Labanowski JK. Heats of formation of organic molecules by ab initio methods: Thiaalkanes Heteroatom Chemistry. 3: 69-72. DOI: 10.1002/Hc.520030113 |
0.345 |
|
| 1991 |
Allinger NL, Chen K, Rahman M, Pathiaseril A. Molecular Mechanics (MM3) Calculations on Aldehydes and Ketones Journal of the American Chemical Society. 113: 4505-4517. DOI: 10.1021/Ja00012A020 |
0.411 |
|
| 1991 |
Dorofeeva OV, Mastryukov VS, Almenningen A, Horn A, Klaeboe P, Yang L, Allinger NL. Molecular structure and conformations of bicyclohexyl, (C6H11)2, as studied by electron diffraction, vibrational spectroscopy and molecular mechanics Journal of Molecular Structure. 263: 281-297. DOI: 10.1016/0022-2860(91)80071-B |
0.398 |
|
| 1991 |
Allinger NL, Quinn M, Rahman M, Chen K. Molecular Mechanics (MM3) calculations on sulfides Journal of Physical Organic Chemistry. 4: 647-658. DOI: 10.1002/Poc.610041102 |
0.395 |
|
| 1991 |
Do?en-Mi?ovi? L, Li S, Allinger NL. Treatment of electrostatic effects within the molecular mechanics method. 3. Double bonds and conjugated systems Journal of Physical Organic Chemistry. 4: 467-478. DOI: 10.1002/Poc.610040802 |
0.437 |
|
| 1990 |
Allinger NL, Grev RS, Yates BF, Schaefer HF. The syn rotational barrier in butane Journal of the American Chemical Society. 112: 114-118. DOI: 10.1021/Ja00157A018 |
0.323 |
|
| 1990 |
Dorofeeva OV, Mastryukov VS, Allinger NL, Almenningen A. Molecular structure and conformations of cyclononane as studied by electron diffraction and molecular mechanics Journal of Physical Chemistry. 94: 8044-8048. DOI: 10.1021/J100384A014 |
0.375 |
|
| 1990 |
Allinger NL, Kuang J, Thomas HD. Molecular mechanics (MM2 and MM3) calculations on aliphatic and aromatic nitro compounds Journal of Molecular Structure: Theochem. 209: 125-148. DOI: 10.1016/0166-1280(90)85051-N |
0.403 |
|
| 1990 |
Allinger NL, Schmitz LR, Motoc I, Bender C, Labanowski JK. Heats of formation of organic molecules byab initio calculations. 1. Aliphatic amines Journal of Physical Organic Chemistry. 3: 732-736. DOI: 10.1002/Poc.610031106 |
0.324 |
|
| 1989 |
Allinger NL, Allinger JA, Yan LQ. Molecular mechanics (MM2) calculations on organo selenium and tellurium compounds Journal of Molecular Structure: Theochem. 201: 363-369. DOI: 10.1016/0166-1280(89)87088-5 |
0.352 |
|
| 1989 |
Goldstein E, Allinger NL. Molecular mechanics calculations (MM2) on aliphatic nitriles Journal of Molecular Structure: Theochem. 188: 149-157. DOI: 10.1016/0166-1280(89)85033-X |
0.397 |
|
| 1989 |
Atavin EG, Mastryukov VS, Allinger NL, Almenningen A, Seip R. Molecular structure of cyclododecane, C12H24, as determined by electron diffraction and molecular mechanics Journal of Molecular Structure. 212: 87-95. DOI: 10.1016/0022-2860(89)85069-0 |
0.352 |
|
| 1989 |
Ermolaeva LI, Mastryukov VS, Allinger NL, Almenningen A. Molecular structure of cycloheptene, C7H12, as determined by electron diffraction and molecular mechanics calculations Journal of Molecular Structure. 196: 151-156. DOI: 10.1016/0022-2860(89)85012-4 |
0.379 |
|
| 1989 |
Allinger NL, Chen K, Gassman PG, Hoye RC, Fertel LB. Determination of the structure of (i,o)-bicyclo[6.2.2]dodeca-11-ene-2,3-anhydride by X-ray crystallography and molecular mechanics Journal of Molecular Structure. 195: 43-56. DOI: 10.1016/0022-2860(89)80157-7 |
0.327 |
|
| 1989 |
Allinger NL, Quinn MI, Chen K, Thompson B, Frierson MR. Molecular mechanics calculations (MM2) on organometallanes of germanium, tin, and lead Journal of Molecular Structure. 194: 1-18. DOI: 10.1016/0022-2860(89)80066-3 |
0.342 |
|
| 1989 |
Liedle S, Mack HG, Oberhammer H, Imam MR, Allinger NL. Gas-phase structures of di-t-butyl ether and t-butyl methyl ether Journal of Molecular Structure. 198: 1-15. DOI: 10.1016/0022-2860(89)80025-0 |
0.335 |
|
| 1989 |
Frierson MR, Allinger NL. Molecular mechanics (MM2) calculations on siloxanes Journal of Physical Organic Chemistry. 2: 573-579. DOI: 10.1002/Poc.610020710 |
0.365 |
|
| 1989 |
Lii J, Gallion S, Bender C, Wikström H, Allinger NL, Flurchick KM, Teeter MM. Molecular mechanics (MM2) calculations on peptides and on the protein Crambin using the CYBER 205 Journal of Computational Chemistry. 10: 503-513. DOI: 10.1002/Jcc.540100408 |
0.327 |
|
| 1988 |
Bowen JP, Reddy VV, Patterson DG, Allinger NL. Molecular mechanics (MM2) parameters for divinyl ethers and aromatic halide derivatives Journal of Organic Chemistry. 53: 5471-5475. DOI: 10.1021/Jo00258A014 |
0.482 |
|
| 1988 |
Ohsaku M, Allinger NL. Molecular structure and conformational stability of ethyl methyl disulfide: A model of cystine Journal of Physical Chemistry. 92: 4591-4594. DOI: 10.1021/J100327A008 |
0.372 |
|
| 1988 |
Li S, Allinger NL. Intramolecular van der Waals' interactions and 1H chemical shifts: steric effects in some cyclic systems Tetrahedron. 44: 1339-1350. DOI: 10.1016/S0040-4020(01)85912-3 |
0.322 |
|
| 1988 |
Siam K, Dorofeeva OV, Mastryukov VS, Ewbank JD, Allinger NL, Schäfer L. Ab initio conformational analysis and geometry optimization of cyclooctane and comparison with molecular mechanics results Journal of Molecular Structure: Theochem. 164: 93-103. DOI: 10.1016/0166-1280(88)80008-3 |
0.424 |
|
| 1988 |
Schmitz LR, Allinger NL, Profeta S. Rotation around the C1?C2 bond of propylamine, anab initio study Journal of Computational Chemistry. 9: 460-464. DOI: 10.1002/Jcc.540090504 |
0.312 |
|
| 1987 |
Wikström H, Lii JH, Allinger NL. The dopaminergic moiety of the ergots: a controversial topic studied with molecular mechanics. Journal of Medicinal Chemistry. 30: 1928-34. PMID 3656365 DOI: 10.1021/Jm00393A041 |
0.367 |
|
| 1987 |
Wikström H, Lii JH, Allinger NL. Conformational analysis of 2-aminoindans and 2-(aminomethyl)indans in relation to their central dopaminergic effects and a dynamic dopamine receptor concept. Journal of Medicinal Chemistry. 30: 1115-20. PMID 3599018 DOI: 10.1021/Jm00390A001 |
0.351 |
|
| 1987 |
Bowen JP, Allinger NL. Molecular mechanics parameters for organophosphines Journal of Organic Chemistry. 52: 2937-2938. DOI: 10.1021/Jo00389A057 |
0.446 |
|
| 1987 |
Bowen JP, Allinger NL. Molecular mechanics parameters for organophosphines The Journal of Organic Chemistry. 52: 2937-2938. DOI: 10.1021/jo00389a057 |
0.369 |
|
| 1987 |
Bowen JP, Allinger NL. Molecular mechanics treatment of .beta.-heteroatom-substituted cyclohexanones The Journal of Organic Chemistry. 52: 1830-1834. DOI: 10.1021/Jo00385A032 |
0.434 |
|
| 1987 |
Phillip Bowen J, Pathiaseril A, Profeta S, Allinger NL. New molecular mechanics (MM2) parameters for ketones and aldehydes Journal of Organic Chemistry. 52: 5162-5166. DOI: 10.1021/Jo00232A019 |
0.359 |
|
| 1987 |
Allinger NL, Lii J. Benzene, aromatic rings, van der Waals molecules, and crystals of aromatic molecules in molecular mechanics (MM3) Journal of Computational Chemistry. 8: 1146-1153. DOI: 10.1002/Jcc.540080812 |
0.368 |
|
| 1987 |
Liljefors T, Tai JC, Li S, Allinger NL. On the out-of-plane deformation of aromatic rings, and its representation by molecular mechanics Journal of Computational Chemistry. 8: 1051-1056. DOI: 10.1002/Jcc.540080713 |
0.597 |
|
| 1987 |
Sprague JT, Tai JC, Yuh Y, Allinger NL. The MMP2 calculational method Journal of Computational Chemistry. 8: 581-603. DOI: 10.1002/Jcc.540080504 |
0.686 |
|
| 1986 |
Siam K, Ewbank JD, Schäfer L, Van Alsenoy C, Allinger NL. Standard geometry functions for ethanol, ethylamine, propanol and propylamine Journal of Molecular Structure: Theochem. 139: 83-99. DOI: 10.1016/0166-1280(86)80109-9 |
0.326 |
|
| 1986 |
Bowen P, Allinger NL. Molecular mechanics studies on the supra annular effect of 3-cyclohexene-1-carboxaldehyde compounds Journal of Organic Chemistry. 51: 1513-1516. DOI: 10.1002/Chin.198650040 |
0.311 |
|
| 1985 |
Dorofeeva OV, Mastryukov VS, Allinger NL, Almenningen A. The molecular structure and conformation of cyclooctane as determined by electron diffraction and molecular mechanics calculations Journal of Physical Chemistry. 89: 252-257. DOI: 10.1021/J100248A015 |
0.407 |
|
| 1985 |
Imam MR, Allinger NL. Applications of molecular mechanics to alkyl radicals Journal of Molecular Structure. 126: 345-362. DOI: 10.1016/0022-2860(85)80125-3 |
0.361 |
|
| 1985 |
Liljefors T, Allinger NL. A note on torsional force constants in molecular mechanics for a methyl group attached to a conjugated system Journal of Computational Chemistry. 6: 478-480. DOI: 10.1002/Jcc.540060517 |
0.588 |
|
| 1985 |
Allinger NL, Schäfer L, Siam K, Klimkowski VJ, Van Alsenoy C. The effect of electronegative atoms on the structures of hydrocarbons.ab initiocalculations on molecules containing fluorine or (carbonyl) oxygen Journal of Computational Chemistry. 6: 331-342. DOI: 10.1002/Jcc.540060502 |
0.325 |
|
| 1984 |
Allinger NL, Hönig H, Burkert U, Asolnai L, Huttner G. Stereoisomers of perhydrophenanthrene. The synthesis and crystal structure of a derivative of the trans-syn-trans isomer Tetrahedron. 40: 3449-3453. DOI: 10.1016/S0040-4020(01)91495-4 |
0.41 |
|
| 1983 |
Allinger NL, Flanagan HL. Isotope effects in molecular mechanics (MM2). Calculations deuterium compounds Journal of Computational Chemistry. 4: 399-403. DOI: 10.1002/Jcc.540040315 |
0.372 |
|
| 1982 |
Allinger NL, Gorden BJ, Newton MG, Norskov-Lauritsen L, Profeta S. The structure of the cyclooctadecane ring system. 1,10-Cyclooctadecanedione Tetrahedron. 38: 2905-2909. DOI: 10.1016/0040-4020(82)85017-5 |
0.382 |
|
| 1982 |
Dodziuk H, Voithenberg Hv, Allinger NL. A molecular mechanics study of methyl vinyl ether an related compounds Tetrahedron. 38: 2811-2819. DOI: 10.1016/0040-4020(82)85008-4 |
0.408 |
|
| 1982 |
Allinger NL, Dodziuk H, Rogers DW, Naik SN. Heats of hydrogenation and formation of some 5-membered ring compounds by molecular mechanics calculations and direct measurements Tetrahedron. 38: 1593-1597. DOI: 10.1016/0040-4020(82)80134-8 |
0.359 |
|
| 1982 |
Scarsdale JN, Sellers HL, Schäfer L, Allinger NL. Ab initiostudies of structural features not easily amenable to experiment. 22. Structural aspects of a long-chain hydrocarbon (n-nonane) and a study of the transferability of electronic effects through CC single bonds Journal of Computational Chemistry. 3: 269-272. DOI: 10.1002/Jcc.540030220 |
0.367 |
|
| 1982 |
Burkert U, Allinger NL. Pitfalls in the use of the torsion angle driving method for the calculation of conformational interconversions Journal of Computational Chemistry. 3: 40-46. DOI: 10.1002/Jcc.540030108 |
0.408 |
|
| 1981 |
Philip T, Cook RL, Malloy TB, Allinger NL, Chang S, Yuh Y. Molecular mechanics calculations and experimental studies of conformations of .delta.-valerolactone Journal of the American Chemical Society. 103: 2151-2156. DOI: 10.1021/Ja00399A002 |
0.752 |
|
| 1981 |
Mastryukov VS, Popik MV, Dorofeeva OV, Golubinskii AV, Vilkov LV, Belikova NA, Allinger NL. Chair-boat equilibriums in bicyclo[3.3.1]nonane at 65 and 400.degree.C studied by electron diffraction and molecular mechanics Journal of the American Chemical Society. 103: 1333-1337. DOI: 10.1021/Ja00396A005 |
0.301 |
|
| 1981 |
DoÅ¡en-MiÄoviÄ L, JeremiÄ D, Allinger NL. The conformational equilibrium of 1,3-dichloro-5-methylcyclohexane Tetrahedron. 37: 3455-3461. DOI: 10.1016/S0040-4020(01)98859-3 |
0.422 |
|
| 1981 |
Tai JC, Allinger NL. Calculated molecular structures and electronic spectra of the geometric isomers of a model carotenoid molecule, 6,11-dimethylhexadecaheptaene Tetrahedron. 37: 2755-2761. DOI: 10.1016/S0040-4020(01)92342-7 |
0.406 |
|
| 1981 |
Nobes RH, Radom L, Allinger NL. Equilibrium conformations of higher-energy rotational isomers of vinyl alcohol and methyl vinyl ether Journal of Molecular Structure: Theochem. 85: 185-194. DOI: 10.1016/0166-1280(81)85061-0 |
0.396 |
|
| 1981 |
Philip T, Cook RL, Malloy TBJ, Allinger NL, Chang S, Yuh Y. Molecular mechanics calculations and experimental studies of conformations of .delta.-valerolactone Cheminform. 12. DOI: 10.1002/Chin.198131074 |
0.752 |
|
| 1981 |
Philip T, Cook RL, Malloy TB, Allinger NL, Chang S, Yuh Y. Molecular mechanics calculations and experimental studies of conformations of δ-valerolactone Journal of the American Chemical Society. 103: 2151-2156. |
0.31 |
|
| 1980 |
Allinger NL, Burkert U, Profeta S. Ab initio calculations of the rotational potential functions for propylamine and ethylmethylamine Journal of Computational Chemistry. 1: 281-284. DOI: 10.1002/Jcc.540010310 |
0.309 |
|
| 1980 |
Sprague JT, Allinger NL. Graphite: A molecular mechanics treatment Journal of Computational Chemistry. 1: 257-260. DOI: 10.1002/Jcc.540010306 |
0.349 |
|
| 1980 |
Allinger NL, Profeta S. The torsional potential function forn-butane Journal of Computational Chemistry. 1: 181-184. DOI: 10.1002/Jcc.540010211 |
0.368 |
|
| 1980 |
Allinger NL, Yuh Y, Sprague JT. The structure and energies of some unsaturated four-membered ring carbocycles Journal of Computational Chemistry. 1: 30-35. DOI: 10.1002/Jcc.540010104 |
0.755 |
|
| 1980 |
Meyer AY, Allinger NL, Yuh Y. Updating the Molecular-Mechanical Force Field for Organic Halides Israel Journal of Chemistry. 20: 57-64. DOI: 10.1002/Chin.198040065 |
0.702 |
|
| 1979 |
Handal J, White J, Franck R, Yuh Y, Allinger N. Additions and Corrections - The Structure of 1,3,6,8-Tetra-tert-butylnapththalene Journal of the American Chemical Society. 101: 5456-5456. DOI: 10.1021/Ja00512A601 |
0.699 |
|
| 1979 |
Mastryuko VS, Popik MV, Dorofeeva OV, Golubinskii AV, Vilkov LV, Belikova NA, Allinger NL. The conformational equilibrium in bicyclo(3.3.1)nonane at 65-400°C by electron diffraction and molecular mechanics Tetrahedron Letters. 20: 4339-4342. DOI: 10.1016/S0040-4039(01)86583-7 |
0.416 |
|
| 1979 |
Wertz DH, Allinger NL. Conformational analysis-129. Heats of formation and thermodynamic parameters for hydrocarbons, calculated by the molecular mechanics method including the effects of molecular vibrations1 1 Paper 128, T. Liljefors and N.L. Allinger, J. Am. Chem. Soc. 100, 1068 (1978).,2 2 Supported by Grant CHE74-08071 from the National Science.. Tetrahedron. 35: 3-12. DOI: 10.1016/0040-4020(79)85001-2 |
0.371 |
|
| 1978 |
Liljefors T, Allinger NL. Conformational analysis. 128. The Woodward-Fieser rules and .alpha.,.beta.-unsaturated ketones Journal of the American Chemical Society. 100: 1068-1073. DOI: 10.1021/Ja00472A008 |
0.552 |
|
| 1978 |
Burkert U, Allinger NL. Chair and boat conformations in the a ring of 4,4-dimethyl-3-keto steroids Tetrahedron. 34: 807-809. DOI: 10.1016/0040-4020(78)88122-8 |
0.434 |
|
| 1978 |
Allinger NL, Von Voithenberg H. Conformational analysis-131. A molecular mechanics treatment of phosphines1 1 Paper 130, N.L. Allinger, J. Am. Chem. Soc. 99, 8127 (1977) Tetrahedron. 34: 627-633. DOI: 10.1016/0040-4020(78)88095-8 |
0.409 |
|
| 1978 |
Allinger NL, Kao J. Conformational analysis—CXIV : Molecular mechanics studies of sulfoxides Tetrahedron. 34: 529-536. DOI: 10.1016/0040-4020(78)88092-2 |
0.377 |
|
| 1978 |
Allinger NL, DoÅ¡en-MiÄoviÄ L, Viscosil JF, Tribble MT. Conformational analysis-133. 3,3-dimethyl-2,4-pentanedione. The importance of induction and solvation1 1 Paper 132, L. Došen-Mićović and N.L. Allinger, Tetrahedron 34, 3385 (1978) Tetrahedron. 34: 3395-3399. DOI: 10.1016/0040-4020(78)80224-5 |
0.398 |
|
| 1978 |
DoÅ¡en-MiÄoviÄ L, Allinger NL. Conformational analysis-132. The effects of electrostatic interactions and solvation energies on conformational equilibria in dihalides and haloketones1 1 For paper 131, see N.L. Allinger and H. von Voithenberg, Tetrahedron 34, 627, 1978 Tetrahedron. 34: 3385-3393. DOI: 10.1016/0040-4020(78)80223-3 |
0.385 |
|
| 1978 |
GYGAX R, WIRZ J, SPRAGUE JT, ALLINGER NL. ChemInform Abstract: ELECTRONIC STRUCTURE AND PHOTOPHYSICAL PROPERTIES OF PLANAR CONJUGATED HYDROCARBONS WITH A 4N-MEMBERED RING. PART III. CONJUGATIVE STABILIZATION IN AN ′ANTIAROMATIC′ SYSTEM- THE CONFORMATIONAL MOBILITY OF 1,5-BISDEHYDRO(12)ANNULENE Chemischer Informationsdienst. 9. DOI: 10.1002/Chin.197815064 |
0.37 |
|
| 1977 |
Patterson DG, Djerassi C, Yuh Y, Allinger NL. Factors governing the relative stabilities of the C/D cis and trans ring junctures in delta8-11-keto steroids. The Journal of Organic Chemistry. 42: 2365-70. PMID 874614 DOI: 10.1021/Jo00434A004 |
0.719 |
|
| 1977 |
Hönig H, Allinger NL. Conformational analysis. 127. Force field calculations on the dodecahydrophenanthrenes Journal of Organic Chemistry. 42: 2330-2333. DOI: 10.1021/Jo00433A032 |
0.373 |
|
| 1977 |
Allinger NL, Tai JC. Conformational analysis. 126. The conformations and electronic spectra of small nonplanar polyenes Journal of the American Chemical Society. 99: 4256-4259. DOI: 10.1021/Ja00455A007 |
0.374 |
|
| 1977 |
Allinger NL, Hindman D, Hoenig H. Conformational analysis. 125. The importance of twofold barriers in saturated molecules Journal of the American Chemical Society. 99: 3282-3284. DOI: 10.1021/Ja00452A014 |
0.367 |
|
| 1977 |
Kao J, Allinger NL. Conformational analysis. 122. Heats of formation of conjugated hydrocarbons by the force field method Journal of the American Chemical Society. 99: 975-986. DOI: 10.1021/Ja00446A001 |
0.322 |
|
| 1977 |
Kao J, Allinger NL. Conformational analysis. 121. Elemental sulfur Inorganic Chemistry. 16: 35-41. DOI: 10.1021/Ic50167A009 |
0.316 |
|
| 1977 |
Allinger NL, Wuesthoff MT. Conformational analysis-CXIX. Charge distribution in the molecular mechanics method1 1 For paper CXVIII see N.L. Allinger and D.Y. Chung, J.Am.Chem.Soc., in press Tetrahedron. 33: 3-10. DOI: 10.1016/0040-4020(77)80424-9 |
0.375 |
|
| 1977 |
Allinger NL, Burkert U, De Camp WH. Conformational analysis3̄CXXIV. The conformation of ring A in the 4,4-dimethyl-3-androstanone system. The crystal structure of 4,4-dimethylandrostan-3-on-17β-yl benzoate1 1 Paper CXXIII, N.L. Allinger and H.M. Chang, Tetrahedron 33, 1561 (1977) Tetrahedron. 33: 1891-1895. DOI: 10.1016/0040-4020(77)80373-6 |
0.39 |
|
| 1977 |
Allinger NL, Chang SHM. Conformational analysis-CXXIII. Carboxylic acids and esters in force field calculations Tetrahedron. 33: 1561-1567. DOI: 10.1016/0040-4020(77)80161-0 |
0.418 |
|
| 1977 |
Gygax R, Wirz J, Sprague JT, Allinger NL. Conjugative Stabilization in an “Antiaromatic” System: The Conformational Mobility of 1,5‐Bisdehydro[12]annulene Helvetica Chimica Acta. 60: 2522-2529. DOI: 10.1002/Hlca.19770600805 |
0.368 |
|
| 1977 |
Patterson DG, Djerassi C, Yuh Y, Allinger NL. Factors Governing The Relative Stabilities Of The C D Cis And Trans Ring Junctures In Δ8-11-Keto Steroids Cheminform. 8. DOI: 10.1002/Chin.197744334 |
0.719 |
|
| 1977 |
Allinger NL, Hindman D, Hoenig H. Conformational Analysis. 125. The Importance Of Twofold Barriers In Saturated D Molecules Cheminform. 8. DOI: 10.1002/Chin.197732063 |
0.333 |
|
| 1976 |
Tai JC, Allinger NL. Conformational analysis. 120. Small polyenes Journal of the American Chemical Society. 98: 7928-7932. DOI: 10.1021/Ja00441A007 |
0.379 |
|
| 1976 |
Liljefors T, Allinger NL. Conformational analysis. CXII. Conformations, energies, and electronic absorption spectra of .alpha.,.beta.-unsaturated aldehydes and ketones Journal of the American Chemical Society. 98: 2745-2749. DOI: 10.1021/Ja00426A012 |
0.592 |
|
| 1976 |
Allinger NL, Hickey MJ, Kao J. Conformational analysis. CXI. The calculation of the structures and energies of disulfides by the molecular mechanics method Journal of the American Chemical Society. 98: 2741-2745. DOI: 10.1021/Ja00426A011 |
0.431 |
|
| 1976 |
Liang CD, Baran JS, Allinger NL, Yuh Y. Synthesis and conformational stabilities of 11-oxo-9α- and 9β-estradiol 3-benzyl ether Tetrahedron. 32: 2067-2069. DOI: 10.1016/0040-4020(76)85109-5 |
0.302 |
|
| 1976 |
Allinger NL, Kao J, Chang HM, Boyd DB. Conformational analysis-CXVII. Methyl ethyl disulfide. Molecular mechanics and molecular orbital calculations Tetrahedron. 32: 2867-2873. DOI: 10.1016/0040-4020(76)80138-X |
0.451 |
|
| 1976 |
Allinger NL, Viskocil JF, Burkert U, Yuh Y. Conformational analysis-CXIII. The isomeric cyclooctadienes Tetrahedron. 32: 33-35. DOI: 10.1016/0040-4020(76)80017-8 |
0.44 |
|
| 1975 |
Baer NS, Indictor N, Allinger NL, Cava MP, Jongh DCD, Johnson CR, Lebel NA, Stevens CL, Barrett EJ, Powers JC, Hart H, Schuetz RD, Hendrickson JB, Cram DJ, Hammond GS, et al. Organic Chemistry Studies in Conservation. 20: 40. DOI: 10.2307/1505600 |
0.49 |
|
| 1975 |
Allinger NL, Hickey MJ. Conformational analysis. CVIII. The calculation of the structures and energies of alkanethiols and thiaalkanes by the molecular mechanics method Journal of the American Chemical Society. 97: 5167-5177. DOI: 10.1021/Ja00851A024 |
0.428 |
|
| 1975 |
Meyer AY, Allinger NL. Conformational analysis-CX. Applications of the molecular mechanics method to organic halides Tetrahedron. 31: 1971-1978. DOI: 10.1016/0040-4020(75)80182-7 |
0.411 |
|
| 1975 |
Allinger NL, Sprague JT. Conformational analysis-CVI. On the 1,5-cyclooctadiene ring Tetrahedron. 31: 21-24. DOI: 10.1016/0040-4020(75)80005-6 |
0.433 |
|
| 1975 |
ALLINGER NL, HICKEY MJ. ChemInform Abstract: CONFORMATIONAL ANALYSIS PART 108, THE CALCULATION OF THE STRUCTURES AND ENERGIES OF ALKANETHIOLS AND THIAALKANES BY THE MOLECULAR MECHANICS METHOD Chemischer Informationsdienst. 6: no-no. DOI: 10.1002/CHIN.197546088 |
0.322 |
|
| 1975 |
Allinger NL, Meyer AY. Conformational Analysis Part 109, Applications Of Molecular Mechanics To The Structures And Energies Of Alkynes Cheminform. 6: 1807-1811. DOI: 10.1002/Chin.197542069 |
0.423 |
|
| 1974 |
Lane GA, Allinger NL. Conformational analysis. CII. Levopimaric acid and related steroidal dienes. Journal of the American Chemical Society. 96: 5825-30. PMID 4412591 DOI: 10.1021/Ja00825A021 |
0.327 |
|
| 1974 |
Allinger NL, Graham JC, Dewhurst BB. Conformational analysis. CV. Syn-diaxial methyl carboethoxy interaction Journal of Organic Chemistry. 39: 2615-2617. DOI: 10.1021/Jo00931A037 |
0.32 |
|
| 1974 |
Allinger NL, Lane GA, Wang GL. Conformational analysis. XCIX. 1-Decalone ring system Journal of Organic Chemistry. 39: 704-708. DOI: 10.1021/Jo00919A027 |
0.399 |
|
| 1974 |
Allinger NL, Sprague JT, Liljefors T. Conformational analysis. CIV. Structures, energies, and electronic absorption spectra of the [n]paracyclophanes Journal of the American Chemical Society. 96: 5100-5104. DOI: 10.1021/Ja00823A014 |
0.594 |
|
| 1974 |
Allinger NL, Walter TJ, Newton MG. Synthesis, structure, and properties of the [7]paracyclophane ring system Journal of the American Chemical Society. 96: 4588-4597. DOI: 10.1021/Ja00821A039 |
0.324 |
|
| 1974 |
Allinger NL, Lane GA. Conformational analysis. C. Conformational transmission. Quantitative approach to the rates of benzylidene formation in steroidal 3-ketones Journal of the American Chemical Society. 96: 2937-2941. DOI: 10.1021/Ja00816A045 |
0.339 |
|
| 1974 |
Wertz DH, Allinger NL. Conformational analysis-CI. The gauche-hydrogen interaction as the basis of conformational analysis Tetrahedron. 30: 1579-1586. DOI: 10.1016/S0040-4020(01)90680-5 |
0.384 |
|
| 1974 |
ALLINGER NL, GRAHAM JC, DEWHURST BB. ChemInform Abstract: CONFORMATIONAL ANALYSIS PART 105, THE SYN-DIAXIAL METHYL/CARBOETHOXY INTERACTION Chemischer Informationsdienst. 5: no-no. DOI: 10.1002/Chin.197449202 |
0.324 |
|
| 1974 |
Lane GA, Allinger NL. Conformational Analysis Part 102, Levopimaric Acid And Related Steroidal Dienes Cheminform. 5. DOI: 10.1002/Chin.197446080 |
0.327 |
|
| 1973 |
Finder CJ, Newton MG, Allinger NL. Crystal and molecular structure of 6,7-diphenyldibenzo[e,g][1,4]diazocine, a heterocyclic cyclo-octatetraene Journal of the Chemical Society-Perkin Transactions 1. 5: 1929-1932. DOI: 10.1039/P29730001929 |
0.311 |
|
| 1973 |
Allinger NL, Pamphilis NA. Conformational analysis. XC. Stereochemical studies of some dimethylated six- and seven-membered-ring hydrocarbons Journal of Organic Chemistry. 38: 316-319. DOI: 10.1021/Jo00942A024 |
0.401 |
|
| 1973 |
Newton MG, Walter TJ, Allinger NL. Conformational analysis. XCIV. [8]Paracyclophane ring system. Structure and spectroscopic properties of 4-carboxy[8]paracyclophane Journal of the American Chemical Society. 95: 5652-5658. DOI: 10.1021/Ja00798A033 |
0.406 |
|
| 1973 |
Allinger NL, Sprague JT. Conformational analysis. XC. Calculation of the structures of hydrocarbons containing delocalized electronic systems by the molecular mechanics method Journal of the American Chemical Society. 95: 3893-3907. DOI: 10.1021/Ja00793A012 |
0.402 |
|
| 1973 |
Allinger NL, Sprague JT, Finder CJ. Conformational analysis—XCII : The structures and inversion barriers of cyclooctatetraene, tetramethylcyclooctatetraene, and octamethylcyclooctatetraene Tetrahedron. 29: 2519-2523. DOI: 10.1016/0040-4020(73)80168-1 |
0.456 |
|
| 1973 |
ALLINGER NL, HICKEY MJ. ChemInform Abstract: CONFORMATIONAL ANALYSIS PART 91, ORGANIC QUANTUM CHEMISTRY PART 31, PROPIONALDEHYDE, AB INITO AND SEMI-EMPIRICAL CALCULATIONS Chemischer Informationsdienst. 4: no-no. DOI: 10.1002/Chin.197347112 |
0.342 |
|
| 1973 |
Newton MG, Walter TJ, Allinger NL. The (8)Paracyclophane Ring System. Strucutre And Spectroscopic Properties Of 4-Carboxy(8)Paracyclophane Cheminform. 4. DOI: 10.1002/Chin.197343095 |
0.314 |
|
| 1973 |
ALLINGER NL, SPRAGUE JT. ChemInform Abstract: CONFORMATIONAL ANALYSIS PART 90, ORGANIC QUANTUM CHEMISTRY PART 30, CALCULATION OF THE STRUCTURES OF HYDROCARBONS BY THE MOLECULAR MECHANICS METHOD Chemischer Informationsdienst. 4: no-no. DOI: 10.1002/Chin.197333087 |
0.383 |
|
| 1973 |
ALLINGER NL, SIEFERT JH. ChemInform Abstract: KONFORM.-ANALYSE 86. MITT. THERMISCHES GLEICHGEWICHT ZWISCHEN CIS- UND TRANS-ISOMEREN VON DEKALON-(2) Chemischer Informationsdienst. 4: no-no. DOI: 10.1002/Chin.197304101 |
0.304 |
|
| 1972 |
Allinger NL, Tribble MT, Sprague JT. Conformational analysis. LXXXV. cis,cis,-1,6-Cyclodecadiene system The Journal of Organic Chemistry. 37: 2423-2424. DOI: 10.1021/Jo00980A015 |
0.328 |
|
| 1972 |
Allinger NL, Jindal SP. Conformational analysis. LXXXI. .gamma.-Piperidone and related compounds Journal of Organic Chemistry. 37: 1042-1045. DOI: 10.1021/Jo00972A025 |
0.323 |
|
| 1972 |
Allinger NL, Siefert JH. Conformational analysis. LXXXVI. Equilibrium between the cis and trans isomers of 2-decalone Journal of the American Chemical Society. 94: 8082-8084. DOI: 10.1021/Ja00778A024 |
0.378 |
|
| 1972 |
Allinger NL, Sprague JT. Conformational analysis. LXXXIV. Study of the structures and energies of some alkenes and cycloalkenes by the force field method Journal of the American Chemical Society. 94: 5734-5747. DOI: 10.1021/Ja00771A034 |
0.371 |
|
| 1972 |
Allinger NL, Hickey MJ. Acetone, ab initio calculations☆ Tetrahedron. 28: 2157-2161. DOI: 10.1016/S0040-4020(01)93563-X |
0.323 |
|
| 1972 |
Tribble M, Allinger N. Conformational analysis—LXXXIII Tetrahedron. 28: 2147-2156. DOI: 10.1016/S0040-4020(01)93562-8 |
0.433 |
|
| 1972 |
Allinger NL, Tribble MT. Conformational analysis—LXXX Tetrahedron. 28: 1191-1202. DOI: 10.1016/S0040-4020(01)93542-2 |
0.398 |
|
| 1972 |
Allinger NL, Tribble MT, Miller MA. Conformational analysis—LXXIX Tetrahedron. 28: 1173-1190. DOI: 10.1016/S0040-4020(01)93541-0 |
0.369 |
|
| 1971 |
Allinger NL, Pamphilis NA. Conformational analysis. LXXVI. Perhydrodurenes Journal of Organic Chemistry. 36: 3437-3442. DOI: 10.1021/Jo00821A035 |
0.388 |
|
| 1971 |
Allinger NL, Maul JJ, Hickey SMJ. Conformational analysis. LXXIV. Phenol and anisole derivatives Journal of Organic Chemistry. 36: 2747-2752. DOI: 10.1021/Jo00818A005 |
0.386 |
|
| 1971 |
Allinger NL, Wuesthoff MT. Conformational analysis. LXXIII. Perhydroanthracenes. Equilibration study The Journal of Organic Chemistry. 36: 2051-2053. DOI: 10.1021/Jo00814A004 |
0.388 |
|
| 1971 |
Allinger NL, Graham JC. Conformational analysis. LXXV. Methylation rates of cis- and trans-4-tert-butyl-N,N-dimethylcyclohexylamines Journal of Organic Chemistry. 36: 1688-1690. DOI: 10.1021/Jo00811A026 |
0.306 |
|
| 1971 |
Allinger NL, Neumann CL, Sugiyama H. Conformational analysis. LXXII. Solvolysis studies with the 5-phenylcyclooctanol system The Journal of Organic Chemistry. 36: 1360-1365. DOI: 10.1021/Jo00809A010 |
0.389 |
|
| 1971 |
Allinger NL, Gorden BJ, Tyminski IJ, Wuesthoff MT. Conformational analysis. LXX. Perhydrophenanthrenes Journal of Organic Chemistry. 36: 739-745. DOI: 10.1021/Jo00805A001 |
0.388 |
|
| 1971 |
Allinger NL, Tribble MT, Miller MA. Conformational analysis. LXXI. Calculation of nuclear magnetic resonance spectra by semiempirical methods. I. Proton chemical shifts in hydrocarbons Journal of the American Chemical Society. 93: 3894-3901. DOI: 10.1021/Ja00745A012 |
0.317 |
|
| 1971 |
Allinger NL, Tribble MT, Miller MA, Wertz DH. Conformational analysis. LXIX. Improved force field for the calculation of the structures and energies of hydrocarbons Journal of the American Chemical Society. 93: 1637-1648. DOI: 10.1021/Ja00736A012 |
0.398 |
|
| 1971 |
Allinger NL, Tribble MT. Conformational analysis. LXXVIII. The conformation of phenylcyclohexane, and related molecules.☆☆☆ Tetrahedron Letters. 12: 3259-3262. DOI: 10.1016/S0040-4039(01)97150-3 |
0.386 |
|
| 1970 |
Ford RA, Allinger NL. Conformational analysis. LXVII. Effect of solvent on the conformational energy of the carbethoxy group Journal of Organic Chemistry. 35: 3178-3181. DOI: 10.1021/Jo00834A080 |
0.378 |
|
| 1970 |
Allinger NL, Lillien I, Neumann CL, Sugiyama H, Pamphilis NA. Conformational analysis. LXVI. Studies involving the 3-tert-butylcyclooctyl ring system Journal of Organic Chemistry. 35: 1255-1259. DOI: 10.1021/Jo00830A003 |
0.405 |
|
| 1970 |
Chow LW, Allinger NL. Organic quantum chemistry-XXV. A theoretical study of the electronic spectra of some α-diketones and unsaturated ketones Tetrahedron. 26: 3717-3729. DOI: 10.1016/S0040-4020(01)92949-7 |
0.312 |
|
| 1969 |
Allinger NL, Hirsch JA, Miller MA, Tyminski IJ. Conformational analysis. LXV. Calculation by the Westheimer method of the structures and energies of a variety of organic molecules containing nitrogen, oxygen, and halogen Journal of the American Chemical Society. 91: 337-343. DOI: 10.1021/Ja01030A022 |
0.384 |
|
| 1968 |
Allinger NL, Liang CD. Conformational analysis. LXIII. 1-Methylcyclohexanol system Journal of Organic Chemistry. 33: 3319-3321. DOI: 10.1021/Jo01272A063 |
0.388 |
|
| 1968 |
Allinger NL, Szkrybalo W, Catledge FAV. Conformational analysis. LIX. Relative stabilities of the cis- and trans-dimethylcyclohexanes Journal of Organic Chemistry. 33: 784-787. DOI: 10.1021/Jo01266A062 |
0.377 |
|
| 1968 |
Allinger NL, Hirsch JA, Miller MA, Tyminski IJ. Conformational analysis. LXIV. Calculation of the structures and energies of unsaturated hydrocarbons by the Westheimer method Journal of the American Chemical Society. 90: 5773-5780. DOI: 10.1021/Ja01023A021 |
0.409 |
|
| 1968 |
Allinger NL, Hirsch JA, Miller MA, Tyminski IJ, Van Catledge FA. Conformational analysis. LX. Improved calculations of the structures and energies of hydrocarbons by the Westheimer method Journal of the American Chemical Society. 90: 1199-1210. DOI: 10.1021/Ja01007A017 |
0.398 |
|
| 1967 |
Allinger NL, Liang CD. Conformational analysis. LVI. Chlorocyclohexane and 1-chloro-1-methylcyclohexane Journal of Organic Chemistry. 32: 2391-2394. DOI: 10.1021/Jo01283A007 |
0.396 |
|
| 1967 |
Allinger NL, Chow LW, Ford RA. Conformational analysis. LVI. Enol contents of the cyclanones and the alternation of enol content with chain length in the alkanones The Journal of Organic Chemistry. 32: 1994-1995. DOI: 10.1021/Jo01281A066 |
0.312 |
|
| 1967 |
Allinger N, Allinger J, Chow L, Wang G. Conformational Analysis. LIV. The 2-Bromo Derivatives of 4-t-Butylcyclohexanone, 4,4-Dimethylcyclohexanone, 6,6-Dimethylcyclohexanone, and 2,6,6-Trimethylcyclohexanone Journal of Organic Chemistry. 32: 522-525. DOI: 10.1021/Jo01278A601 |
0.302 |
|
| 1967 |
Allinger NL, Miller MA, Van Catledge FA, Hirsch JA. Conformational analysis. LVII. The calculation of the conformational structures of hydrocarbons by the Westheimer-Hendrickson-Wiberg method Journal of the American Chemical Society. 89: 4345-4357. DOI: 10.1021/Ja00993A017 |
0.432 |
|
| 1966 |
Allinger N, Frieberg L. Additions and Corrections-Conformational Analysis. XLVI The Conformational Energies of the Simple Alkyl Groups Journal of Organic Chemistry. 31: 4327-4327. DOI: 10.1021/Jo01350A609 |
0.385 |
|
| 1966 |
Allinger NL, Freiberg LA. Conformational Analysis. XLVI. The Conformational Energies of the Simple Alkyl Groups1-3 Journal of Organic Chemistry. 31: 894-897. DOI: 10.1021/Jo01341A059 |
0.396 |
|
| 1966 |
Allinger NL, Blatter HM, Freiberg LA, Karkowski FM. Conformational Analysis. LI. The Conformations of Cyclohexanone Rings in Simple Molecules1-3 Journal of the American Chemical Society. 88: 2999-3011. DOI: 10.1021/Ja00965A021 |
0.411 |
|
| 1965 |
ALLINGER NL, CARPENTER JG, DAROOGE MA. CONFORMATIONAL ANALYSIS. XXXIX. THE CONFORMATIONS OF RING A IN BROMO DERIVATIVES OF CHOLESTAN-3-ONE AND RELATED COMPOUNDS. The Journal of Organic Chemistry. 30: 1423-9. PMID 14290374 DOI: 10.1021/Jo01016A019 |
0.394 |
|
| 1965 |
Allinger NL, Jones ES. Conformational Analysis. XLIV. The Dependence of Some Physical Properties of Acetophenone Derivatives on the Conformation of the Side Chain1-3 Journal of Organic Chemistry. 30: 2165-2169. DOI: 10.1021/Jo01018A012 |
0.351 |
|
| 1965 |
Allinger NL, Tushaus LA. Conformational Analysis. XLIII. Stereochemical Studies in the Cyclobutane Ring System1-3 Journal of Organic Chemistry. 30: 1945-1951. DOI: 10.1021/Jo01017A057 |
0.363 |
|
| 1965 |
Allinger NL, Miller MA, Chow LW, Ford RA, Graham JC. The Calculated Electronic Spectra and Structures of Some Cyclic Conjugated Hydrocarbons1,2 Journal of the American Chemical Society. 87: 3430-3435. DOI: 10.1021/Ja01093A025 |
0.339 |
|
| 1964 |
Allinger NL, Allinger J, DaRooge MA. Conformational Analysis. XXXVIII. The Conformations of Cyclohexanone Rings Journal of the American Chemical Society. 86: 4061-4067. DOI: 10.1021/Ja01073A031 |
0.412 |
|
| 1963 |
Allinger NL, Miller MA, Tushaus LA. The Stereochemistry of Cyclooctatetraene Dibromide1 Journal of Organic Chemistry. 28: 2555-2557. DOI: 10.1021/Jo01045A015 |
0.319 |
|
| 1963 |
Allinger NL, DaRooge MA, Miller MA, Waegell B. Conformational Analysis. XXXV. The Configurations and Conformations of Ring A in the 2-Fluoro-5α-Androstane-3,17-Diones1,2 Journal of Organic Chemistry. 28: 780-783. DOI: 10.1021/Jo01038A045 |
0.386 |
|
| 1963 |
Allinger NL, Freiberg LA, Hermann RR, Miller MA. The Molecular Structure and Electronic Spectrum of [8]Paracyclophane. A New Synthetic Method for the Preparation of Strained Large Rings Journal of the American Chemical Society. 85: 1171-1176. DOI: 10.1021/Ja00891A030 |
0.319 |
|
| 1962 |
Allinger NL, Allinger J, DaRooge MA, Greenberg S. Conformational Analysis. XXXIV. The Phenyl Group1,2 Journal of Organic Chemistry. 27: 4603-4606. DOI: 10.1021/Jo01059A112 |
0.34 |
|
| 1962 |
Allinger NL, Szkrybalo W. Conformational Analysis. XXX. The Cyano Group1,2 Journal of Organic Chemistry. 27: 4601-4603. DOI: 10.1021/Jo01059A111 |
0.328 |
|
| 1962 |
Allinger NL, Jindal SP, DaRooge MA. Conformational Analysis. XXXIII. On the Conformation of the Cycloöctane Ring1,2 Journal of Organic Chemistry. 27: 4290-4293. DOI: 10.1021/Jo01059A038 |
0.411 |
|
| 1962 |
Allinger NL, Hu S. Conformational Analysis. XXIX. The Isopropyl Group1,2 Journal of Organic Chemistry. 27: 3417-3420. DOI: 10.1021/Jo01057A007 |
0.327 |
|
| 1962 |
Allinger NL, Blatter HM. Conformational Analysis. XXVII. The Conformers of 2-Fluorocyclohexanone1,2 Journal of Organic Chemistry. 27: 1523-1526. DOI: 10.1021/Jo01052A008 |
0.397 |
|
| 1962 |
Allinger NL, DaRooge MA, Neumann CL. Conformational Analysis. XXIV. The Dipole Moment of 4-Fluorocoprostan-3-one1 The Journal of Organic Chemistry. 27: 1082-1083. DOI: 10.1021/Jo01050A537 |
0.397 |
|
| 1962 |
Allinger NL, Szkrybalo W. Conformational Analysis. XXIII. The 4-Cyclohepten-1-one System1 Journal of Organic Chemistry. 27: 722-724. DOI: 10.1021/Jo01050A004 |
0.314 |
|
| 1962 |
Allinger NL, DeRooge MA. Additions and Corrections - The Conformation of the Acetyl Side Chain of Pregnan-20-one Journal of the American Chemical Society. 84: 4999-4999. DOI: 10.1021/Ja00883A613 |
0.329 |
|
| 1962 |
Conia JM, Ripoll J, Tushaus LA, Neumann CL, Allinger NL. Conformational Analysis. XXXVI. Some Consequences of the Non-Planarity of Cyclobutane and Cyclobutanone Rings Journal of the American Chemical Society. 84: 4982-4983. DOI: 10.1021/Ja00883A074 |
0.388 |
|
| 1962 |
Allinger NL, DaRooge MA. Conformational Analysis. XXXII. The Conformation of Ring A in 2,2- and 4,4- Dimethyl-3-ketosteroids Journal of the American Chemical Society. 84: 4561-4567. DOI: 10.1021/Ja00882A036 |
0.414 |
|
| 1962 |
Allinger NL, Freiberg LA, Hu S. Conformational Analysis. XXXI. The Isopropyl Group1,2,3 Journal of the American Chemical Society. 84: 2836-2837. DOI: 10.1021/Ja00873A045 |
0.327 |
|
| 1962 |
Allinger NL, Greenberg S. Conformational Analysis. XXVI. Some Stereochemical Studies of the Cycloctane Ring Journal of the American Chemical Society. 84: 2394-2402. DOI: 10.1021/Ja00871A024 |
0.402 |
|
| 1962 |
Allinger NL, Freiberg LA. Conformational Analysis. XXVIII. The 3-Alkylketone Effect Journal of the American Chemical Society. 84: 2201-2203. DOI: 10.1021/Ja00870A035 |
0.378 |
|
| 1962 |
Allinger NL, Hu S. Conformational Analysis. XXI. The Ethyl Group Journal of the American Chemical Society. 84: 370-372. DOI: 10.1021/Ja00862A011 |
0.333 |
|
| 1961 |
Allinger N, Blatter H, DaRooge M, Freiberg L. Notes- Conformational Analysis. XV. The Dipole Moment of 2-Fluorocholestanone. The Journal of Organic Chemistry. 26: 2550-2552. DOI: 10.1021/Jo01351A616 |
0.391 |
|
| 1961 |
Allinger NL, Coke JL. The Structure of Helvolic Acid. III1,2 Journal of Organic Chemistry. 26: 4522-4529. DOI: 10.1021/Jo01069A078 |
0.713 |
|
| 1961 |
Allinger NL, Darooge MA, Hermann RB. Conformational Analysis. XVIII. The Relative Stabilities of the cis and trans A/B Ring Junctures of Steroidal 4 and 6 Ketones1,2 Journal of Organic Chemistry. 26: 3626-3628. DOI: 10.1021/Jo01068A002 |
0.39 |
|
| 1961 |
Allinger J, Allinger N, Geller L, Djerassi C. Notes- Conformational Analysis. XIX. Optical Rotatory Dispersion Studies. L. The Conformers of trans-2-Chloro-5-methylcyclohexanone The Journal of Organic Chemistry. 26: 3521-3523. DOI: 10.1021/Jo01067A611 |
0.331 |
|
| 1961 |
Allinger N, Coke J. Notes- Relative Stabilities of cis and trans Isomers. XI. The 9-Methyldecalins. Journal of Organic Chemistry. 26: 2096-2097. DOI: 10.1021/Jo01065A600 |
0.737 |
|
| 1961 |
Allinger N, Curby R. Notes. The Relative Stabilities of cis and trans Isomers. X. The 1,3-Cyclohexanedicarboxylate Esters. Journal of Organic Chemistry. 26: 933-935. DOI: 10.1021/Jo01062A600 |
0.31 |
|
| 1961 |
Wilson A, Allinger N. Additions and Corrections-Conformational Analysis. XIV. The Use of the Polargraph for the Determination of the Conformations of the 2-Halocyclohexanones Journal of the American Chemical Society. 83: 5049-5049. DOI: 10.1021/Ja01485A626 |
0.39 |
|
| 1961 |
Allinger NL, Freiberg LA. Conformational Analysis. Xxv. The Molecular Structure Of 1,4-Cyclohexanedione1,2 Journal of the American Chemical Society. 83: 5028-5029. DOI: 10.1021/Ja01485A034 |
0.406 |
|
| 1961 |
Allinger NL, DaRooge MA. Conformational Analysis. XX. The Conformation of the Acetyl Side Chain of Pregnane-20-one1,2 Journal of the American Chemical Society. 83: 4256-4258. DOI: 10.1021/Ja01481A037 |
0.369 |
|
| 1961 |
Wilson AM, Allinger NL. Conformational Analysis. XIV. The Use of the Polarograph for the Determination of the Conformations of the 2-Halocyclohexanones1,2 Journal of the American Chemical Society. 83: 1999-2001. DOI: 10.1021/Ja01469A052 |
0.385 |
|
| 1961 |
Allinger NL, Hu S. Conformational Analysis. XIII. On the Geometry of the Cycloöctane Ring. The Relative Stabilities of the 1,3-Dimethylcycloöctanes1,2 Journal of the American Chemical Society. 83: 1664-1668. DOI: 10.1021/Ja01468A027 |
0.401 |
|
| 1961 |
Allinger NL, Zalkow VB. Conformation Analysis. XII. The Bicyclo[5.3.0]decanes1,2 Journal of the American Chemical Society. 83: 1144-1146. DOI: 10.1021/Ja01466A033 |
0.393 |
|
| 1961 |
Allinger NL, Blatter HM. Conformational Analysis. Xvi. The Energy Of The Boat Form Of Cyclohexanone. Direct Measurements Of 2-Alkyl Ketone Effects1,2 Journal of the American Chemical Society. 83: 994-995. DOI: 10.1021/Ja01465A056 |
0.357 |
|
| 1960 |
Allinger NL, Greenberg S. The Relative Stabilities of cis and trans Isomers. IX. A Study of the Importance of Conformational Transmission in Determining the Relative Stabilities of Hydrindanones in Steroidal Systems1 Journal of Organic Chemistry. 25: 1399-1402. DOI: 10.1021/Jo01078A028 |
0.369 |
|
| 1960 |
ALLINGER NL, HERMANN RB, DJERASSI C. Relative Stabilities of cis and trans Isomers. VIII.1aOptical Rotatory Dispersion Studies. XXXIV.1bKinetic and Equilibrium Measurements on Some Steroidal Hydrindanones The Journal of Organic Chemistry. 25: 922-927. DOI: 10.1021/Jo01076A012 |
0.32 |
|
| 1960 |
Allinger NL, Zalkow V. Conformational Analysis. IX. The Gem-Dimethyl Effect1,2 Journal of Organic Chemistry. 25: 701-704. DOI: 10.1021/Jo01075A006 |
0.389 |
|
| 1960 |
Allinger J, Allinger N. Notes- Conformational Analysis. VII. The Dipole Moment of 2-Bromocyclooctanone The Journal of Organic Chemistry. 25: 262-263. DOI: 10.1021/Jo01072A603 |
0.394 |
|
| 1960 |
Allinger NL, Allinger J, Freiberg LA, Czaja RF, LeBel NA. Conformational Analysis. XI. The Conformers of 2-Chlorocyclohexanone1,3 Journal of the American Chemical Society. 82: 5876-5882. DOI: 10.1021/Ja01507A026 |
0.397 |
|
| 1960 |
Allinger NL, Allinger J, LeBel NA. Conformational Analysis. VIII.1,2The Dipole Moments of cis- and trans-2-Bromo-4-t-butylcyclohexanone Journal of the American Chemical Society. 82: 2926-2927. DOI: 10.1021/Ja01496A061 |
0.345 |
|
| 1960 |
Allinger NL, Coke JL. The Relative Stabilities of cis and trans Isomers. VII. The Hydrindanes1,2 Journal of the American Chemical Society. 82: 2553-2556. DOI: 10.1021/Ja01495A039 |
0.738 |
|
| 1960 |
Allinger NL, Freiberg LA. Conformational Analysis. X. The Energy Of The Boat Form Of The Cyclohexane Ring1,2 Journal of the American Chemical Society. 82: 2393-2394. DOI: 10.1021/Ja01494A069 |
0.361 |
|
| 1959 |
Allinger N, Youngdale G. Notes- Structures of the "Isomers" of 2,3,6,7-Dibenzo-1-thia-4,5-diazacyclohepta-2,4,6-triene-1,1-dioxide Journal of Organic Chemistry. 24: 2059-2060. DOI: 10.1021/Jo01094A630 |
0.301 |
|
| 1959 |
Cram DJ, Bauer RH, Allinger NL, Reeves RA, Wechter WJ, Heilbronner E. Macro Rings. XXI. Mono- and Polysubstituted [2.2]Paracyclophanes1 Journal of the American Chemical Society. 81: 5977-5983. DOI: 10.1021/Ja01531A032 |
0.489 |
|
| 1959 |
Allinger J, Allinger NL. Conformational Analysis. V. 2-Bromocycloöctanone1,2 Journal of the American Chemical Society. 81: 5736-5740. DOI: 10.1021/Ja01530A051 |
0.318 |
|
| 1959 |
Allinger NL, Greenberg S. Conformational Analysis. IV. The Conformations of the Cycloöctanone Ring1,2 Journal of the American Chemical Society. 81: 5733-5736. DOI: 10.1021/Ja01530A050 |
0.41 |
|
| 1959 |
Allinger NL. Conformational Analysis. III. Applications to Some Medium Ring Compounds1,2 Journal of the American Chemical Society. 81: 5727-5733. DOI: 10.1021/Ja01530A049 |
0.369 |
|
| 1959 |
Allinger NL, Coke JL. The Relative Stabilities of cis and trans Isomers. VI. The Decalins1,2 Journal of the American Chemical Society. 81: 4080-4082. DOI: 10.1021/Ja01524A065 |
0.738 |
|
| 1959 |
Allinger NL, Nakazaki M, Zalkow V. The Relative Stabilities of cis and trans Isomers. V. The Bicyclo[5.2.0]nonanes. An Extension of the Conformational Rule1,2 Journal of the American Chemical Society. 81: 4074-4080. DOI: 10.1021/Ja01524A064 |
0.366 |
|
| 1959 |
Allinger NL. The Relative Stabilities of cis and trans Isomers. IV. The 3,5-Dimethylcycloheptanones1,2 Journal of the American Chemical Society. 81: 232-236. DOI: 10.1021/Ja01510A053 |
0.329 |
|
| 1958 |
Allinger NL. On the Molecular Geometry of trans-Cycloöctene Journal of the American Chemical Society. 80: 1953-1955. DOI: 10.1021/Ja01541A044 |
0.372 |
|
| 1957 |
Allinger NL. The Relative Stabilities of cis and trans Isomers. III. The Cyclodecenes Journal of the American Chemical Society. 79: 3443-3446. DOI: 10.1021/Ja01570A034 |
0.328 |
|
| 1956 |
Cram DJ, Allinger NL. Mold Metabolites. VIII. Contribution to the Elucidation of the Structure of Helvolic Acid1 Journal of the American Chemical Society. 78: 5275-5284. DOI: 10.1021/Ja01601A034 |
0.45 |
|
| 1956 |
Cram DJ, Allinger NL. Macro Rings. XIII. Synthesis and Properties of 1,7-Cyclododecadiyne and Related Compounds1 Journal of the American Chemical Society. 78: 2518-2524. DOI: 10.1021/Ja01592A051 |
0.461 |
|
| 1955 |
Cram DJ, Allinger NL. Macro Rings. XII. Stereochemical Consequences of Steric Compression in the Smallest Paracyclophane1 Journal of the American Chemical Society. 77: 6289-6294. DOI: 10.1021/Ja01628A067 |
0.486 |
|
| 1954 |
Cram DJ, Allinger NL, Steinberg H. Macro Rings. VII. The Spectral Consequences of Bringing Two Benzene Rings Face to Face1 Journal of the American Chemical Society. 76: 6132-6141. DOI: 10.1021/Ja01652A081 |
0.467 |
|
| 1954 |
Allinger NL, Cram DJ. Macro Rings. IV. The Preparation of Three New Paracyclophanes1 Journal of the American Chemical Society. 76: 2362-2367. DOI: 10.1021/Ja01638A022 |
0.474 |
|
| 1954 |
Cram DJ, Allinger NL. Macro Rings. III. Synthesis and Properties of p,p'-Tetramethylene-1,4-diphenylbutane1 Journal of the American Chemical Society. 76: 726-731. DOI: 10.1021/Ja01632A027 |
0.436 |
|
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