| Year |
Citation |
Score |
| 2019 |
Donham LL, Gronert S. Substitution Reactions on Iodine and Bromine: Mechanisms for Facile Halogenations of Heterocycles. The Journal of Organic Chemistry. PMID 30908041 DOI: 10.1021/Acs.Joc.9B00721 |
0.406 |
|
| 2018 |
Eyilcim O, Issever S, Ocal N, Gronert S, Erden I. Imidazolidin-4-ones via (3+2) cycloadditions of aza-oxyallyl cations onto ()-arylideneanilines. Tetrahedron Letters. 59: 3674-3677. PMID 30449908 DOI: 10.1016/J.Tetlet.2018.08.056 |
0.35 |
|
| 2017 |
Erden I, Gärtner C, Ma J, Cabrera G, Markham K, Azimi S, Gronert S. Cyclopentadienones via a tandem C-cyclopropylnitrone cyclization-cycloreversion sequence. European Journal of Organic Chemistry. 2017: 5147-5153. PMID 29200938 DOI: 10.1002/Ejoc.201700915 |
0.38 |
|
| 2017 |
Erden I, Gronert S, Cabrera G, Coskun N, Tapken M. Diverse modes of reactivity of 6-(chloromethyl)-6-methylfulvene. European Journal of Organic Chemistry. 2017: 2925-2931. PMID 29200937 DOI: 10.1002/Ejoc.201700442 |
0.318 |
|
| 2017 |
Parker ML, Gronert S. Investigating reduced metal species via sequential ion/ion and ion/molecule reactions: The reactions of transition metal phenanthrolines with allyl iodide International Journal of Mass Spectrometry. 418: 73-78. DOI: 10.1016/J.Ijms.2016.11.018 |
0.379 |
|
| 2016 |
Clarke J, Fowler PW, Gronert S, Keeffe JR. Effect of Ring Size and Migratory Groups on [1,n] Suprafacial Shift Reactions. Confirmation of Aromatic and Antiaromatic Transition-State Character by Ring Current Analysis. The Journal of Organic Chemistry. PMID 27598386 DOI: 10.1021/Acs.Joc.6B01261 |
0.372 |
|
| 2016 |
Erden I, Basada J, Poli D, Cabrera G, Xu F, Gronert S. Unusual hydroxyl effect on fulvene endoperoxide decompositions. Tetrahedron Letters. 57: 2190-2193. PMID 27175039 DOI: 10.1016/J.Tetlet.2016.04.024 |
0.341 |
|
| 2016 |
Swift CA, Gronert S. Gold(I)-Induced Rearrangements of Propargyl Derivatives: A Gas-Phase Study Organometallics. 35: 3844-3851. DOI: 10.1021/Acs.Organomet.6B00719 |
0.383 |
|
| 2015 |
Davis MC, Gronert S. A mass spectrometric method for rapidly assaying the chiral selectivities of the copper(I) complexes of C2 -symmetric ligands. Journal of Mass Spectrometry : Jms. 50: 1279-87. PMID 26505773 DOI: 10.1002/Jms.3643 |
0.331 |
|
| 2015 |
Saunders WH, Gronert S. The Competition between Elimination Pathways in the Reactions of a Wide Variety of Bases with 2-Fluoro- and 2-Chlorobutane in the Gas Phase. The Journal of Organic Chemistry. 80: 10787-93. PMID 26484560 DOI: 10.1021/Acs.Joc.5B01983 |
0.442 |
|
| 2015 |
Aldajaei JT, Keeffe JR, Swift CA, Gronert S. Are copper(I) carbenes capable intermediates for cyclopropanations? The case for ylide intermediates. Chemistry (Weinheim An Der Bergstrasse, Germany). 21: 12702-8. PMID 26179611 DOI: 10.1002/Chem.201501550 |
0.36 |
|
| 2015 |
Coskun N, Çetin M, Gronert S, Ma J, Erden I. Pyrrolidine catalyzed reactions of cyclopentadiene with α,β-unsaturated carbonyl compounds: 1,2- versus 1,4-additions. Tetrahedron. 71: 2636-2642. PMID 25908883 DOI: 10.1016/J.Tet.2015.03.042 |
0.336 |
|
| 2015 |
Swift CA, Gronert S. Intermolecular C-H Bond Activation by a Cationic Iridium(III) Dichloride Phenanthroline Complex. Angewandte Chemie (International Ed. in English). 54: 6475-8. PMID 25865960 DOI: 10.1002/Anie.201500863 |
0.374 |
|
| 2015 |
Soukup LL, Gronert S. The gas-phase reactions of localized and delocalized carbanions with aryl halides: Competition between attack on the π-system and the periphery International Journal of Mass Spectrometry. 378: 31-37. DOI: 10.1016/j.ijms.2014.05.020 |
0.378 |
|
| 2014 |
Gronert S, Garver JM, Nichols CM, Worker BB, Bierbaum VM. Dehalogenation of arenes via SN2 reactions at bromine: competition with nucleophilic aromatic substitution. The Journal of Organic Chemistry. 79: 11020-8. PMID 25329966 DOI: 10.1021/Jo502039H |
0.417 |
|
| 2014 |
Narayanasamy SK, Simpson DC, Martin I, Grotewiel M, Gronert S. Paraquat exposure and Sod2 knockdown have dissimilar impacts on the Drosophila melanogaster carbonylated protein proteome. Proteomics. 14: 2566-77. PMID 25091824 DOI: 10.1002/Pmic.201400192 |
0.555 |
|
| 2014 |
Erden I, Gronert S, Keeffe JR, Ma J, Ocal N, Gärtner C, Soukup LL. Effect of allylic groups on S(N)2 reactivity. The Journal of Organic Chemistry. 79: 6410-8. PMID 24977317 DOI: 10.1021/Jo501157S |
0.369 |
|
| 2014 |
Eanes AD, Noin DO, Kebede MK, Gronert S. Nucleophilic aromatic substitution with dianions: reactions driven by the release of Coulomb repulsion. Journal of the American Society For Mass Spectrometry. 25: 10-7. PMID 24135808 DOI: 10.1007/S13361-013-0758-Y |
0.442 |
|
| 2014 |
Swift CA, Gronert S. Formation and reactivity of gold carbene complexes in the gas phase Organometallics. 33: 7135-7140. DOI: 10.1021/om500926v |
0.311 |
|
| 2013 |
Senger NA, Bliss CE, Keeffe JR, Gronert S, Wu W. Stabilities of Uracil and Pyridone-Based Carbanions: A Systematic Study in the Gas Phase and Solution and Implications for the Mechanism of Orotidine-5'-Monophosphate Decarboxylase. Tetrahedron. 69: 5287-5292. PMID 24072938 DOI: 10.1016/J.Tet.2013.05.003 |
0.417 |
|
| 2013 |
Erden I, Ma J, Gärtner C, Azimi S, Gronert S. Temperature-dependent, competitive 1,3-acyl shift versus decarbonylation of a cyclopropanone intermediate. Tetrahedron. 69: 5044-5047. PMID 23956469 DOI: 10.1016/J.Tet.2013.03.053 |
0.319 |
|
| 2013 |
Conner KM, Gronert S. Impact of alkyl substituents on the gas-phase competition between substitution and elimination. The Journal of Organic Chemistry. 78: 8606-13. PMID 23895292 DOI: 10.1021/Jo4013354 |
0.411 |
|
| 2013 |
Gronert S, Keeffe JR. Calculated stabilities and structures for carbocations and singlet carbenes bearing electron-withdrawing groups Journal of Physical Organic Chemistry. 26: 1023-1031. DOI: 10.1002/Poc.3167 |
0.322 |
|
| 2012 |
Senger NA, Bo B, Cheng Q, Keeffe JR, Gronert S, Wu W. The element effect revisited: factors determining leaving group ability in activated nucleophilic aromatic substitution reactions. The Journal of Organic Chemistry. 77: 9535-40. PMID 23057717 DOI: 10.1021/Jo301134Q |
0.384 |
|
| 2012 |
Kudavalli JS, Rao SN, Bean DE, Sharma ND, Boyd DR, Fowler PW, Gronert S, Kamerlin SC, Keeffe JR, More O'Ferrall RA. Base-catalyzed dehydration of 3-substituted benzene cis-1,2-dihydrodiols: stabilization of a cyclohexadienide anion intermediate by negative aromatic hyperconjugation. Journal of the American Chemical Society. 134: 14056-69. PMID 22830996 DOI: 10.1021/Ja304366J |
0.429 |
|
| 2012 |
Liu Q, Simpson DC, Gronert S. The reactivity of human serum albumin toward trans-4-hydroxy-2-nonenal. Journal of Mass Spectrometry : Jms. 47: 411-24. PMID 22689617 DOI: 10.1002/Jms.2037 |
0.366 |
|
| 2012 |
Nettey S, Swift CA, Joviliano R, Noin DO, Gronert S. The impact of substituents on the transition states of SN2 and E2 reactions in aliphatic and vinylic systems: remarkably facile vinylic eliminations. Journal of the American Chemical Society. 134: 9303-10. PMID 22582928 DOI: 10.1021/Ja301557A |
0.379 |
|
| 2012 |
Garver JM, Yang Z, Nichols CM, Worker BB, Gronert S, Bierbaum VM. Resolving the α-effect in gas phase S N2 reactions: A Marcus theory approach International Journal of Mass Spectrometry. 316: 244-250. DOI: 10.1016/J.Ijms.2012.02.014 |
0.381 |
|
| 2012 |
Aldajaei JT, Gronert S. The gas-phase reactions of metal porphyrins with diazoacetate esters International Journal of Mass Spectrometry. 316: 68-75. DOI: 10.1016/J.Ijms.2011.12.012 |
0.372 |
|
| 2011 |
Garver JM, Gronert S, Bierbaum VM. Experimental validation of the α-effect in the gas phase. Journal of the American Chemical Society. 133: 13894-7. PMID 21830780 DOI: 10.1021/Ja205741M |
0.423 |
|
| 2011 |
Gronert S, Keeffe JR, More O'Ferrall RA. Stabilities of carbenes: independent measures for singlets and triplets. Journal of the American Chemical Society. 133: 3381-9. PMID 21341749 DOI: 10.1021/Ja1071493 |
0.333 |
|
| 2011 |
Clodfelter WC, Wong EH, Hay KA, Gronert S. Gas-phase ligand binding to Jacobsen's manganese salen catalyst: Functional group and steric effects International Journal of Mass Spectrometry. 305: 40-44. DOI: 10.1016/J.Ijms.2011.05.008 |
0.352 |
|
| 2010 |
Koehn SK, Gronert S, Aldajaei JT. Mechanistic insights into the reactions of Co(III) salens with diazoacetates. Organic Letters. 12: 676-9. PMID 20088560 DOI: 10.1021/Ol902682F |
0.407 |
|
| 2010 |
Koehn SK, Tran NL, Gronert S, Wu W. The stability of aryl carbanions derived from pyridine N-oxide: the role of resonance in stabilizing aryl anions. Journal of the American Chemical Society. 132: 390-5. PMID 20000602 DOI: 10.1021/Ja906473V |
0.36 |
|
| 2009 |
Gronert S, Simpson DC, Conner KM. A reevaluation of computed proton affinities for the common alpha-amino acids. Journal of the American Society For Mass Spectrometry. 20: 2116-23. PMID 19683940 DOI: 10.1016/J.Jasms.2009.07.006 |
0.371 |
|
| 2009 |
Gronert S, Keeffe JR, More O'Ferrall RA. Correlations between carbene and carbenium stability: Ab initio calculations on substituted phenylcarbenes, nonbenzenoid arylcarbenes, heteroatom-substituted carbenes, and the corresponding carbocations and hydrogenation products Journal of Organic Chemistry. 74: 5250-5259. DOI: 10.1021/Jo9006464 |
0.416 |
|
| 2008 |
Fournier F, Afonso C, Fagin AE, Gronert S, Tabet JC. Can cluster structure affect kinetic method measurements? The curious case of glutamic acid's gas-phase acidity. Journal of the American Society For Mass Spectrometry. 19: 1887-96. PMID 18789717 DOI: 10.1016/J.Jasms.2008.07.022 |
0.322 |
|
| 2008 |
Wong FM, Capule CC, Chen DX, Gronert S, Wu W. Surprisingly low aqueous acidity at the alpha-positions of pyridiniums and pyrimidinium: the role of solvation. Organic Letters. 10: 2757-60. PMID 18537244 DOI: 10.1021/Ol800892D |
0.332 |
|
| 2008 |
Fagin AE, Wang G, Lau MC, Gronert S. Gas-phase stereoselective binding to Mn/salen catalysts. Organic Letters. 10: 1771-3. PMID 18402459 DOI: 10.1021/Ol8004563 |
0.327 |
|
| 2007 |
Gronert S, Keeffe JR. The protonation of allene and some heteroallenes, a computational study. The Journal of Organic Chemistry. 72: 6343-52. PMID 17655254 DOI: 10.1021/Jo0704107 |
0.387 |
|
| 2007 |
Gronert S. An epoxide intermediate in nucleophilic acylations by thiazolium precursors. Organic Letters. 9: 3065-8. PMID 17608488 DOI: 10.1021/Ol0711467 |
0.355 |
|
| 2007 |
Gronert S. EPR data do not indicate that hyperconjugation stabilizes alkyl radicals. Organic Letters. 9: 2211-4. PMID 17469837 DOI: 10.1021/Ol070706Z |
0.317 |
|
| 2007 |
Gronert S, Fagin AE, Wong L. Direct measurements of deuterium kinetic isotope effects in anionic, gas-phase substitution and elimination reactions. Journal of the American Chemical Society. 129: 5330-1. PMID 17425316 DOI: 10.1021/Ja070093L |
0.419 |
|
| 2007 |
Lioe H, O'Hair RAJ, Gronert S, Austin A, Reid GE. Experimental and theoretical proton affinities of methionine, methionine sulfoxide and their N- and C-terminal derivatives International Journal of Mass Spectrometry. 267: 220-232. DOI: 10.1016/J.Ijms.2007.02.038 |
0.367 |
|
| 2006 |
Gronert S. Evidence that alkyl substitution provides little stabilization to radicals: the C-C bond test and the nonbonded interaction contradiction. The Journal of Organic Chemistry. 71: 7045-8. PMID 16930060 DOI: 10.1021/Jo060797Y |
0.335 |
|
| 2006 |
Gronert S, Keeffe JR. Primary semiclassical kinetic hydrogen isotope effects in identity carbon-to-carbon proton- and hydride-transfer reactions, an ab initio and DFT computational study. The Journal of Organic Chemistry. 71: 5959-68. PMID 16872178 DOI: 10.1021/Jo0606296 |
0.372 |
|
| 2006 |
Gronert S. An alternative interpretation of the C-H bond strengths of alkanes. The Journal of Organic Chemistry. 71: 1209-19. PMID 16438539 DOI: 10.1021/Jo052363T |
0.319 |
|
| 2005 |
Gronert S, Li KH, Horiuchi M. Manipulating the fragmentation patterns of phosphopeptides via gas-phase boron derivatization: determining phosphorylation sites in peptides with multiple serines. Journal of the American Society For Mass Spectrometry. 16: 1905-14. PMID 16242953 DOI: 10.1016/J.Jasms.2005.07.018 |
0.343 |
|
| 2005 |
Gronert S, Keeffe JR. Identity hydride-ion transfer from C-H donors to C acceptor sites. Enthalpies of hydride addition and enthalpies of activation. Comparison with C...H...C proton transfer. An ab initio study. Journal of the American Chemical Society. 127: 2324-33. PMID 15713112 DOI: 10.1021/Ja044002L |
0.407 |
|
| 2005 |
Ahn S, Cong X, Lebrilla CB, Gronert S. Zwitterion formation in gas-phase cyclodextrin complexes. Journal of the American Society For Mass Spectrometry. 16: 166-75. PMID 15694767 DOI: 10.1016/J.Jasms.2004.10.007 |
0.352 |
|
| 2005 |
Gronert S. Quadrupole ion trap studies of fundamental organic reactions. Mass Spectrometry Reviews. 24: 100-20. PMID 15389862 DOI: 10.1002/Mas.20008 |
0.394 |
|
| 2004 |
Gronert S, Fagin AE, Okamoto K, Mogali S, Pratt LM. Leaving group effects in gas-phase substitutions and eliminations. Journal of the American Chemical Society. 126: 12977-83. PMID 15469295 DOI: 10.1021/Ja047002U |
0.43 |
|
| 2004 |
Gronert S, Fagin AE, Okamoto K. Stereoselectivity in the collision-activated reactions of gas phase salt complexes. Journal of the American Society For Mass Spectrometry. 15: 1509-16. PMID 15465364 DOI: 10.1016/J.Jasms.2004.07.013 |
0.391 |
|
| 2004 |
Gronert S, O'Hair RA, Fagin AE. Ion/molecule reactions of the protonated serine octamer. Chemical Communications (Cambridge, England). 1944-5. PMID 15340613 DOI: 10.1039/B407721K |
0.4 |
|
| 2004 |
Shem DL, Gronert S, Wu W. Modest catalysis of the decarboxylation of orotate by hydrogen bonding: a theoretical model for orotidine- 5' -monophosphate decarboxylase. Bioorganic Chemistry. 32: 76-81. PMID 14990306 DOI: 10.1016/J.Bioorg.2003.11.001 |
0.321 |
|
| 2004 |
Gronert S, Huang R, Li KH. Gas phase derivatization in peptide analysis I: The utility of trimethyl borate in identifying phosphorylation sites International Journal of Mass Spectrometry. 231: 179-187. DOI: 10.1016/J.Ijms.2003.10.006 |
0.354 |
|
| 2004 |
Gronert S, Fagin AE, Okamoto K, Mogali S, Pratt LM. Leaving group effects in gas-phase substitutions and eliminations Journal of the American Chemical Society. 126: 12977-12983. |
0.326 |
|
| 2003 |
Gronert S. Gas phase studies of the competition between substitution and elimination reactions. Accounts of Chemical Research. 36: 848-57. PMID 14622032 DOI: 10.1021/Ar020042N |
0.43 |
|
| 2003 |
Keeffe JR, Gronert S, Colvin ME, Tran NL. Identity proton-transfer reactions from C-H, N-H, and O-H acids. An ab initio, DFT, and CPCM-B3LYP aqueous solvent model study. Journal of the American Chemical Society. 125: 11730-45. PMID 13129378 DOI: 10.1021/Ja0356683 |
0.403 |
|
| 2003 |
Gronert S, Fong LM. Structural effects on the gas phase reactivity of organic salt complexes: Substitution versus Hofmann elimination Australian Journal of Chemistry. 56: 379-383. DOI: 10.1071/Ch02156 |
0.448 |
|
| 2003 |
Gronert S, Kimura C. High-level computational studies of nonidentity proton transfer reactions: Variations in their gas phase potential energy surfaces Journal of Physical Chemistry A. 107: 8932-8938. DOI: 10.1021/Jp036131E |
0.421 |
|
| 2003 |
Feng WY, Gronert S, Lebrilla C. The lithium cation binding energies of gaseous amino acids Journal of Physical Chemistry A. 107: 405-410. DOI: 10.1021/Jp022112D |
0.344 |
|
| 2003 |
Feng WY, Gronert S, Fletcher KA, Warres A, Lebrilla CB. The mechanism of C-terminal fragmentations in alkali metal ion complexes of peptides International Journal of Mass Spectrometry. 222: 117-134. DOI: 10.1016/S1387-3806(02)00958-2 |
0.387 |
|
| 2002 |
Gronert S, O'Hair RA. Gas phase reactions of trimethyl borate with phosphates and their non-covalent complexes. Journal of the American Society For Mass Spectrometry. 13: 1088-98. PMID 12322956 DOI: 10.1016/S1044-0305(02)00424-5 |
0.445 |
|
| 2002 |
Grigorean G, Gronert S, Lebrilla CB. Enantioselective gas-phase ion-molecule reactions in a quadrupole ion trap International Journal of Mass Spectrometry. 219: 79-87. DOI: 10.1016/S1387-3806(02)00558-4 |
0.403 |
|
| 2001 |
Gronert S, Huang R. A strong preference for a salt-bridge structure in the gas phase: Reactions of deprotonated amino acids with borane [7] Journal of the American Chemical Society. 123: 8606-8607. PMID 11525673 DOI: 10.1021/Ja010966Q |
0.4 |
|
| 2001 |
Gronert S, Pratt LM, Mogali S. Substituent effects in gas-phase substitutions and eliminations: β-Halo substituents. Solvation reverses SN2 substituent effects Journal of the American Chemical Society. 123: 3081-3091. DOI: 10.1021/Ja003955Q |
0.449 |
|
| 2001 |
Gronert S. Mass spectrometric studies of organic ion/molecule reactions Chemical Reviews. 101: 329-360. DOI: 10.1021/Cr9900836 |
0.379 |
|
| 2000 |
Feng WY, Austin TJ, Chew F, Gronert S, Wu W. The mechanism of orotidine 5'-monophosphate decarboxylase: Catalysis by destabilization of the substrate Biochemistry. 39: 1778-1783. PMID 10677227 DOI: 10.1021/Bi992553W |
0.357 |
|
| 2000 |
Gronert S, Feng WY, Chew F, Wu W. The gas phase acid/base properties of 1,3,-dimethyluracil, 1-methyl-2-pyridone, and 1-methyl-4-pyridone: Relevance to the mechanism of orotidine-5'-monophosphate decarboxylase International Journal of Mass Spectrometry. 195: 251-258. DOI: 10.1016/S1387-3806(99)00191-8 |
0.382 |
|
| 2000 |
O'Hair RAJ, Gronert S. Ab initio insights into amide bond cleavage reactions of formamide with substituted methyl cations XCH2/+ (X = OH, F, and Cl) International Journal of Mass Spectrometry. 195: 303-317. DOI: 10.1016/S1387-3806(99)00178-5 |
0.381 |
|
| 1999 |
Gronert S. Determining the gas-phase properties and reactivities of multiply charged ions Journal of Mass Spectrometry. 34: 787-796. PMID 10423559 DOI: 10.1002/(Sici)1096-9888(199908)34:8<787::Aid-Jms847>3.0.Co;2-O |
0.394 |
|
| 1999 |
Flores AE, Gronert S. The gas-phase reactions of dianions with alkyl bromides: Direct identification of S(N)2 and E2 products [16] Journal of the American Chemical Society. 121: 2627-2628. DOI: 10.1021/Ja983922Z |
0.381 |
|
| 1999 |
Feng WY, Gronert S, Lebrilla CB. Lithium and sodium ion binding energies of N-acetyl and N-glycyl amino acids Journal of the American Chemical Society. 121: 1365-1371. DOI: 10.1021/Ja983116S |
0.377 |
|
| 1999 |
Gronert S, Fong L. Gas phase reactions of dianions. 2. The effect of a second charge on SN2 potential energy surfaces: an ab initio study International Journal of Mass Spectrometry. 192: 185-190. DOI: 10.1016/S1387-3806(99)00082-2 |
0.366 |
|
| 1999 |
Gronert S. Coulomb repulsion in multiply charged ions: A computational study of the effective dielectric constants of organic spacer groups International Journal of Mass Spectrometry. 185: 351-357. DOI: 10.1016/S1387-3806(98)14118-0 |
0.333 |
|
| 1999 |
Gronert S, Azebu J. Reactions of gas-phase salts: Substitutions and eliminations in complexes containing a dianion and a tetraalklylammonium cation Organic Letters. 1: 503-506. |
0.35 |
|
| 1998 |
Aliagas I, Gronert S. Accuracy of G2 calculations for the reactions of hydroxyl radicals with alkanes Journal of Physical Chemistry A. 102: 2609-2612. DOI: 10.1021/Jp973390T |
0.391 |
|
| 1998 |
Gronert S, Azizian K, Friedman MA. Cyclizations of 3-chlorocarbanions to cyclopropanes: 'Strain-free' transition states for forming highly strained rings Journal of the American Chemical Society. 120: 3220-3226. DOI: 10.1021/Ja974068Z |
0.362 |
|
| 1998 |
Gronert S. Estimation of effective ion temperatures in a quadrupole ion trap Journal of the American Society For Mass Spectrometry. 9: 845-848. DOI: 10.1016/S1044-0305(98)00055-5 |
0.358 |
|
| 1997 |
Merrill GN, Gronert S, Kass SR. Systematic study of the potential energy surface for the base-induced elimination reaction of fluoride ion with ethyl fluoride using density functional theory Journal of Physical Chemistry A. 101: 208-218. DOI: 10.1021/Jp962344A |
0.377 |
|
| 1997 |
Bernasconi CF, Wenzel PJ, Keeffe JR, Gronert S. Intrinsic barriers and transition state structures in the gas phase carbon-to-carbon identity proton transfers from nitromethane to nitromethide anion and from protonated nitromethane to aci-nitromethane. An ab Initio study Journal of the American Chemical Society. 119: 4008-4020. DOI: 10.1021/Ja963492H |
0.399 |
|
| 1997 |
Shirazian S, Gronert S. The gas-phase conformations of valine: An ab initio study Journal of Molecular Structure: Theochem. 397: 107-112. DOI: 10.1016/S0166-1280(96)04939-1 |
0.346 |
|
| 1996 |
Gronert S, Freed P. Theoretical studies of eliminations. 5. Intermolecular vs intramolecular eliminations: An ab initio study of the gas-phase reaction of NH2- with CH3CH2SCH3 Journal of Organic Chemistry. 61: 9430-9433. DOI: 10.1021/Jo961482T |
0.42 |
|
| 1996 |
Gronert S. An ab initio study of proton transfers from gas-phase dications: Complications in kinetic methods for determining acidities Journal of the American Chemical Society. 118: 3525-3526. DOI: 10.1021/Ja952728Z |
0.383 |
|
| 1995 |
Sheldon J, Ohair R, Downard K, Gronert S, Krempp M, Depuy C, Bowie J. A Potential Surface Map of the H-/N2O System. The Gas Phase Ion Chemistry of HN2O- Australian Journal of Chemistry. 48: 155-165. DOI: 10.1071/Ch9950155 |
0.406 |
|
| 1995 |
Gronert S, Lee JM. Strain-free transition states in the formation of strained rings: An ab initio study of thiirane, thietan, and tetrahydrothiophene Journal of Organic Chemistry. 60: 6731-6736. DOI: 10.1021/Jo00126A023 |
0.358 |
|
| 1995 |
Gronert S, Lee JM. Gas phase reactions of methyloxirane with HO- and methylthiirane with HO- and HS-. An ab initio study of addition and elimination Journal of Organic Chemistry. 60: 4488-4497. DOI: 10.1021/Jo00119A028 |
0.407 |
|
| 1995 |
O'Hair RAJ, Freitas MA, Gronert S, Schmidt JAR, Williams TD. Concerning the Regioselectivity of Gas Phase Reactions of Glycine with Electrophiles. The Cases of the Dimethylchlorinium Ion and the Methoxymethyl Cation The Journal of Organic Chemistry. 60: 1990-1998. DOI: 10.1021/Jo00112A020 |
0.418 |
|
| 1995 |
Gronert S, O'Hair RAJ. Ab initio studies of amino acid conformations. 1. The conformers of alanine, serine, and cysteine Journal of the American Chemical Society. 117: 2071-2081. DOI: 10.1021/Ja00112A022 |
0.333 |
|
| 1995 |
O'Hair RAJ, Freitas MA, Gronert S, Schmidt JAR, Williams TD. Concerning the regioselectivity of gas phase reactions of glycine with electrophiles. The cases of the dimethylchlorinium ion and the methoxymethyl cation Journal of Organic Chemistry. 60: 1990-1998. |
0.345 |
|
| 1994 |
Gronert S. Theoretical studies of elimination reactions. 4. Gas phase reactions of F- with cyclopentyl and cyclohexyl chloride. Stereochemical preferences of E2 eliminations Journal of Organic Chemistry. 59: 7046-7050. DOI: 10.1021/Jo00102A032 |
0.424 |
|
| 1994 |
Rabasco JJ, Gronert S, Kass SR. Stereoselectivity in 1,2-Elimination Reactions. The Gas-Phase Reactivity of Deuterium-Labeled 1-Methoxy-1-tert-butyl-4,4-dimethyl-2-cyclohexene and 1-Methoxy-3-tert-butyl-6,6-dimethyl-3-cyclohexene Journal of the American Chemical Society. 116: 3133-3134. DOI: 10.1021/Ja00086A057 |
0.415 |
|
| 1994 |
O'Hair RAJ, Gronert S, Williams TD. How does isotopic substitution affect the gas‐phase proton affinity of glycine? a combined experimental and Ab Initio study Organic Mass Spectrometry. 29: 151-152. DOI: 10.1002/Oms.1210290306 |
0.348 |
|
| 1994 |
Rabasco JJ, Gronert S, Kass SR. Stereoselectivity in 1,2-elimination reactions. The gas-phase reactivity of deuterium-labeled 1-methoxy-1-tert-butyl-4,4-dimethyl-2-cyclohexene and 1-methoxy-3-tert-butyl-6,6-dimethyl-3-cyclohexene Journal of the American Chemical Society. 116: 3133-3134. |
0.307 |
|
| 1993 |
Gronert S. Theoretical studies of proton transfers. 1. The potential energy surfaces of the identity reactions of the first- and second-row non-metal hydrides with their conjugate bases Journal of the American Chemical Society. 115: 10258-10266. DOI: 10.1021/Ja00075A047 |
0.342 |
|
| 1993 |
Gronert S. Theoretical studies of elimination reactions. 3. Gas-phase reactions of fluoride ion with 2-chloropropane and 1-chloropropane. The effect of methyl substituents Journal of the American Chemical Society. 115: 652-659. DOI: 10.1021/Ja00055A039 |
0.399 |
|
| 1993 |
Gronert S. Theoretical studies of elimination reactions. 3. Gas-phase reactions of F- with (CH3)2CHC1 and CH3CH2CH2Cl. The effect of methyl substituents Journal of the American Chemical Society. 115: 652-659. |
0.314 |
|
| 1992 |
Gronert S. Theoretical studies of elimination reactions. 2. The importance of periplanar transition states in E1cb-like eliminations. The gauche transition state of hydroxide + methoxyethane Journal of the American Chemical Society. 114: 2349-2354. DOI: 10.1021/Ja00033A008 |
0.331 |
|
| 1992 |
Gronert S. The mechanisms of the gas phase reactions of HO- with oxirane and HS- with thiirane. An ab initio study International Journal of Mass Spectrometry and Ion Processes. 117: 115-128. DOI: 10.1016/0168-1176(92)80089-J |
0.449 |
|
| 1992 |
O'Hair RAJ, Bowie JH, Gronert S. Gas phase acidities of the α amino acids International Journal of Mass Spectrometry and Ion Processes. 117: 23-36. DOI: 10.1016/0168-1176(92)80083-D |
0.346 |
|
| 1991 |
Gronert S. Theoretical studies of elimination reactions. 1. Reactions of F- and PH2- with CH3CH2Cl. Competition between SN2 and E2 mechanisms for first- and second-row nucleophiles Journal of the American Chemical Society. 113: 6041-6048. DOI: 10.1021/Ja00016A017 |
0.409 |
|
| 1990 |
DePuy CH, Gronert S, Mullin A, Bierbaum VM. Gas-phase SN2 and E2 reactions of alkyl halides Journal of the American Chemical Society. 112: 8650-8655. DOI: 10.1021/Ja00180A003 |
0.351 |
|
| 1990 |
Ervin KM, Gronert S, Barlow SE, Gilles MK, Harrison AG, Bierbaum VM, DePuy CH, Lineberger WC, Ellison GB. Bond strengths of ethylene and acetylene Journal of the American Chemical Society. 112: 5750-5759. DOI: 10.1021/Ja00171A013 |
0.339 |
|
| 1989 |
Gronert S, DePuy CH. The dehydrophenyl anion and the gas phase ion chemistry of benzyne Journal of the American Chemical Society. 111: 9253-9254. DOI: 10.1021/Ja00208A032 |
0.335 |
|
| 1989 |
Gronert S, Glaser R, Streitwieser AJ. Charge Transfers and Polarizations in Bonds to Silicon. Organosilanes and the S N 2(Si) Reaction of SiH 4 + F - . An Ab Initio Study Journal of the American Chemical Society. 111: 3111-3117. DOI: 10.1021/Ja00191A001 |
0.31 |
|
| 1989 |
DePuy CH, Gronert S, Barlow SE, Bierbaum VM, Damrauer R. The gas-phase acidities of the alkanes Journal of the American Chemical Society. 111: 1968-1973. DOI: 10.1021/Ja00188A003 |
0.452 |
|
| 1988 |
Gronert S, Streitwieser A. Carbon acidity. 76. The remarkably low second pKa of 1-naphthylacetic acid. Lithium ion pair acidity in tetrahydrofuran Journal of the American Chemical Society. 110: 4418-4419. DOI: 10.1021/Ja00221A054 |
0.308 |
|
| 1988 |
Gronert S, Streitwieser A. Carbon acidity. 75. The effects of hetero-substituted pendant groups on carbanion reactivity. Kinetic acidities of 9-substituted fluorenes in tetrahydrofuran. The importance of free ions in the reactions of delocalized carbanion salts Journal of the American Chemical Society. 110: 2843-2847. DOI: 10.1021/Ja00217A025 |
0.432 |
|
| 1988 |
Gronert S, Streitwieser A. Carbon acidity. 74. The effects of hetero-substituted pendant groups on carbanion reactivity. Solvent-separated-contact ion pair equilibria and relative pKLi/THF's for 9-substituted fluorenyllithiums in tetrahydrofuran. The importance of internal chelation Journal of the American Chemical Society. 110: 2836-2842. DOI: 10.1021/Ja00217A024 |
0.356 |
|
| 1988 |
Kaufman MJ, Gronert S, Streitwieser A. Carbon acidity. 73. Conductimetric study of lithium and cesium salts of hydrocarbon acids. A scale of free ion acidities in tetrahydrofuran. Revision of the ion pair scales Journal of the American Chemical Society. 110: 2829-2835. DOI: 10.1021/Ja00217A023 |
0.372 |
|
| 1988 |
Damrauer R, DePuy CH, Barlow SE, Gronert S. Gas-phase chemistry of the silaacetylide anion, HCSi- Journal of the American Chemical Society. 110: 2005-2006. DOI: 10.1021/Ja00214A077 |
0.339 |
|
| 1987 |
Kaufman MJ, Gronert S, Bors DA, Streitwieser A. Carbon acidity. 70. Equilibrium ion pair acidities in tetrahydrofuran of benzylic carbon acids stabilized by an adjacent cyano, carboalkoxy, and sulfonyl substituent. Delocalization and aggregation of ion pairs Journal of the American Chemical Society. 109: 602-603. DOI: 10.1021/Ja00236A059 |
0.328 |
|
| 1986 |
Gronert S, Streitwieser A. Carbon acidity. 71. The indicator scale of lithium ion pairs in tetrahydrofuran Journal of the American Chemical Society. 108: 7016-7022. DOI: 10.1021/Ja00282A028 |
0.362 |
|
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