| Year |
Citation |
Score |
| 2013 |
Grein F. Pseudo Jahn-Teller coupling in trioxides XO3((0,1,-1)) with 22 and 23 valence electrons. The Journal of Chemical Physics. 138: 204305. PMID 23742473 DOI: 10.1063/1.4805064 |
0.411 |
|
| 2011 |
Grein F. Multireference configuration interaction studies on higher valence and Rydberg states of OClO, ionization potentials, and electron detachment energies. The Journal of Chemical Physics. 135: 044304. PMID 21806116 DOI: 10.1063/1.3611051 |
0.351 |
|
| 2010 |
Cameron TS, Decken A, Grein F, Knapp C, Passmore J, Rautiainen JM, Shuvaev KV, Thompson RC, Wood DJ. Preparation and characterization of (CNSSS)2(A)2 (A = AsF6(-), SbF6(-), Sb2F11(-)) containing the O2-like 5,5'-bis(1,2,3,4-trithiazolium) dication: the second example of a simple nonsterically hindered main-group diradical that retains its paramagnetism in the solid state. Inorganic Chemistry. 49: 7861-79. PMID 20698504 DOI: 10.1021/Ic100760T |
0.347 |
|
| 2010 |
Grein F. Excited states of dibromine monoxide (Br2O): MRCI, coupled cluster, and density functional studies. The Journal of Physical Chemistry. A. 114: 6157-63. PMID 20420420 DOI: 10.1021/jp102170h |
0.381 |
|
| 2010 |
Adam AG, Downie LE, Granger AD, Grein F, Slaney ME, Linton C, Tokaryk DW. A high resolution visible spectrum of iridium monophosphide Journal of Molecular Spectroscopy. 263: 111-119. DOI: 10.1016/J.Jms.2010.07.011 |
0.363 |
|
| 2009 |
Grein F. Coupled cluster and density functional studies on geometries and energies of excited C(2v) states of ozone. The Journal of Chemical Physics. 130: 124118. PMID 19334819 DOI: 10.1063/1.3099609 |
0.439 |
|
| 2009 |
Grein F. The ClO4 radical: A theoretical study on ground and excited states Molecular Physics. 107: 2005-2013. DOI: 10.1080/00268970903084979 |
0.346 |
|
| 2009 |
Grein F. Theoretical studies on ground and excited states of the BrO4 radical Chemical Physics Letters. 482: 34-37. DOI: 10.1016/j.cplett.2009.09.085 |
0.346 |
|
| 2009 |
Darvesh KV, Grein F. Configuration selection in the MCSCF method. I. Application to the B1∑+ state of HF International Journal of Quantum Chemistry. 28: 247-256. DOI: 10.1002/Qua.560280824 |
0.507 |
|
| 2009 |
Grein F, Banerjee A. A multiconfiguration method for excited states of atoms and molecules International Journal of Quantum Chemistry. 9: 147-154. DOI: 10.1002/Qua.560090821 |
0.496 |
|
| 2009 |
Grein F. Ground and low-lying excited C2v States of FeO2 - A challenge to computational methods International Journal of Quantum Chemistry. 109: 549-558. DOI: 10.1002/qua.21855 |
0.323 |
|
| 2008 |
Shuvaev KV, Decken A, Grein F, Abedin TS, Thompson LK, Passmore J. NC-(CF2)4-CNSSN radical containing 1,2,3,5-dithiadiazolyl radical dimer exhibiting triplet excited states at low temperature and thermal hysteresis on melting-solidification: structural, spectroscopic, and magnetic characterization. Dalton Transactions (Cambridge, England : 2003). 4029-37. PMID 18648707 DOI: 10.1039/B804699A |
0.331 |
|
| 2008 |
Grein F. DFT and MRCI studies on ground and excited states of CrO2 Chemical Physics. 343: 231-240. DOI: 10.1016/j.chemphys.2007.05.025 |
0.366 |
|
| 2007 |
Grein F. Density functional theory and multireference configuration interaction studies on low-lying excited states of TiO2. The Journal of Chemical Physics. 126: 034313. PMID 17249877 DOI: 10.1063/1.2429062 |
0.374 |
|
| 2007 |
Burrill S, Grein F. MRCI studies on ground and excited states of CBr Molecular Physics. 105: 1891-1901. DOI: 10.1080/00268970701452121 |
0.35 |
|
| 2006 |
Bruna PJ, Grein F. Theoretical studies on dications and trications of FH, ClH, and BrH. Properties of the bound 1(5)sigma- states. Electron-spin g-factors and fine/hyperfine constants of the metastable X3Sigma- states of ClH2+ and BrH2+. The Journal of Physical Chemistry. A. 110: 4906-17. PMID 16599461 DOI: 10.1021/jp0572838 |
0.389 |
|
| 2006 |
Grein F, Chen AC, Edwards D, Crudden CM. Theoretical and experimental studies on the Baeyer-Villiger oxidation of ketones and the effect of alpha-halo substituents. The Journal of Organic Chemistry. 71: 861-72. PMID 16438495 DOI: 10.1021/Jo0513966 |
0.328 |
|
| 2005 |
Clouthier C, Grein F, Bruna PJ. Theoretical studies on singlet and triplet states of Ge2 Molecular Physics. 103: 3253-3261. DOI: 10.1080/00268970500258935 |
0.384 |
|
| 2003 |
Brownridge S, Grein F, Tatchen J, Kleinschmidt M, Marian CM. Efficient calculation of electron paramagnetic resonance g-tensors by multireference configuration interaction sum-over-state expansions, using the atomic mean-field spin-orbit method Journal of Chemical Physics. 118: 9552-9562. DOI: 10.1063/1.1569243 |
0.33 |
|
| 2001 |
Bruna PJ, Grein F. Spectroscopy of the C2 molecule: Valence and Rydberg states in the 7-10 eV region. An ab initio study Canadian Journal of Physics. 79: 653-671. DOI: 10.1139/cjp-79-2-3-653 |
0.315 |
|
| 2001 |
Cao Z, Peyerimhoff SD, Grein F, Zhang Q. Ab initio multireference configuration interaction study of the electronic spectra of carbon chain anions C2n+1 - (n=2-5) Journal of Chemical Physics. 115: 2062-2068. DOI: 10.1063/1.1385364 |
0.514 |
|
| 2001 |
Grein F, Franz J, Hanrath M, Peyerimhoff SD. Theoretical studies on the electronic spectra of cyclic C6, in D3h and D6h symmetries Chemical Physics. 263: 55-60. DOI: 10.1016/S0301-0104(00)00343-8 |
0.569 |
|
| 2001 |
Grein F. The anomeric effect in oxo acids and esters of phosphorus Journal of Molecular Structure: Theochem. 536: 87-98. DOI: 10.1016/S0166-1280(00)00614-X |
0.312 |
|
| 2001 |
Bruna PJ, Grein F. Ab initio study of the X3Σ-, a1Δ, b1Σ+ states of GeH-, and electron affinity of GeH Journal of Molecular Structure. 599: 261-269. DOI: 10.1016/S0022-2860(01)00829-8 |
0.341 |
|
| 2000 |
Peri? M, Grein F, Hachey MRJ. Ab initio study of the role of vibronic coupling in the ultraviolet valence/Rydberg spectrum of formaldehyde: Handling of vibronic interaction between three electronic states Journal of Chemical Physics. 113: 9011-9021. DOI: 10.1063/1.1319645 |
0.348 |
|
| 2000 |
Bruna PJ, Lushington GH, Grein F. The electron-spin magnetic moment (g-tensor) of H2CO+ according to MRCI calculations Journal of Molecular Structure: Theochem. 527: 139-148. DOI: 10.1016/S0166-1280(00)00486-3 |
0.38 |
|
| 1998 |
Woeller M, Mühlhäuser M, Peyerimhoff SD, Grein F. Chemisorption of ethylene on Si5+ cluster ions. A theoretical study Chemical Physics Letters. 288: 603-608. DOI: 10.1016/S0009-2614(98)00359-5 |
0.47 |
|
| 1996 |
Hachey MRJ, Grein F. The important role of 1(π,π *) in the UV absorption spectrum of formaldehyde, as shown by ab initio MR CI studies Chemical Physics Letters. 256: 179-184. DOI: 10.1016/0009-2614(96)88954-8 |
0.394 |
|
| 1996 |
Lushington GH, Bruna PJ, Grein F. Ab initio calculations of electron-spin magnetic moments for Li, Be and B hydrides inX 2?+ states Zeitschrift F�R Physik D Atoms, Molecules and Clusters. 36: 301-309. DOI: 10.1007/Bf01426416 |
0.383 |
|
| 1996 |
Lushington GH, Grein F. Complete to second-order ab initio level calculations of electronic g-tensors Theoretical Chemistry Accounts. 93: 259-267. DOI: 10.1007/Bf01127505 |
0.337 |
|
| 1996 |
Hachey MRJ, Bruna PJ, Grein F. The spectroscopy of formaldehyde: III. Out-of-plane potentials and geometry optimizations for singlet states Journal of Molecular Spectroscopy. 176: 375-384. DOI: 10.1006/Jmsp.1996.0099 |
0.423 |
|
| 1996 |
Lushington GH, Grein F. The electronic g-tensor of MgF: A comparison of ROHF and MRD-CI level results International Journal of Quantum Chemistry. 60: 1679-1684. DOI: 10.1002/(Sici)1097-461X(1996)60:7<1679::Aid-Qua50>3.0.Co;2-T |
0.437 |
|
| 1996 |
Grein F, Hachey MRJ. The π, π* state in formaldehyde and thioformaldehyde International Journal of Quantum Chemistry. 60: 1661-1671. DOI: 10.1002/(Sici)1097-461X(1996)60:7<1661::Aid-Qua48>3.0.Co;2-1 |
0.464 |
|
| 1995 |
Hachey MRJ, Grein F. The spectroscopy of H2CS. 1. CS stretch potential curves for singlet states of planar H2CS, obtained by ab initio multireference CI methods Canadian Journal of Physics. 73: 18-34. DOI: 10.1139/p95-004 |
0.352 |
|
| 1995 |
Mawhinney RC, Bruna PJ, Grein F. Metastable states of the trication bn3+: An ab initio mrd-ci study Journal of Physics B: Atomic, Molecular and Optical Physics. 28: 4015-4025. DOI: 10.1088/0953-4075/28/18/006 |
0.358 |
|
| 1995 |
Hachey MRJ, Bruna PJ, Grein F. Spectroscopy of Formaldehyde. 1. Ab Initio Studies on Singlet Valence and Rydberg States of Planar H2CO, with Emphasis on 1(.pi.,.pi.) and 1(.sigma.,.pi.) The Journal of Physical Chemistry. 99: 8050-8057. DOI: 10.1021/j100020a031 |
0.34 |
|
| 1995 |
Hachey MRJ, Grein F. The spectroscopy of thioformaldehyde. MR-CI studies on the triplet states of H2CS Chemical Physics. 197: 61-71. DOI: 10.1016/0301-0104(95)00154-G |
0.484 |
|
| 1995 |
Hachey MRJ, Grein F. The Spectroscopy of H2CS: Out-of-Plane Potentials for Singlet States and Geometry Optimization of the 1(π,π*), 1(σ,π*),1(n0,π* 2), and Rydberg States Journal of Molecular Spectroscopy. 172: 384-406. DOI: 10.1006/jmsp.1995.1187 |
0.361 |
|
| 1995 |
B�ndgen P, Lushington GH, Grein F. Configuration interaction study of relativistic corrections to the zeeman effect in diatomic molecules International Journal of Quantum Chemistry. 56: 283-288. DOI: 10.1002/Qua.560560831 |
0.334 |
|
| 1995 |
Lushington GH, Bündgen P, Grein F. Ab initio study of molecularg-tensors International Journal of Quantum Chemistry. 55: 377-392. DOI: 10.1002/Qua.560550503 |
0.327 |
|
| 1995 |
Bruna PJ, Hachey MRJ, Grein F. Spectroscopy of formaldehyde. 2. Multireference configuration interaction study on triplet and quintet states of H2CO Journal of Physical Chemistry. 99: 16576-16585. |
0.354 |
|
| 1995 |
Hachey MRJ, Bruna PJ, Grein F. Spectroscopy of formaldehyde. 1. Ab initio studies on singlet valence and Rydberg states of planar H2CO, with emphasis on 1(π,π*) and 1(σ,π*) Journal of Physical Chemistry. 99: 8050-8057. |
0.41 |
|
| 1995 |
Mawhinney RC, Bruna PJ, Grein F. Multireference configuration interaction studies on metastable states of the dication BN2+ The Journal of Chemical Physics. 103: 8944-8954. |
0.33 |
|
| 1993 |
Hachey M, Grein F, Steer RP. The structure and vertical excitation energies of the chlorothioformyl radical, ClCS: implications for the photofragmentation of thiophosgene Canadian Journal of Chemistry. 71: 112-117. DOI: 10.1139/V93-016 |
0.514 |
|
| 1993 |
Banichevich A, Peyerimhoff SD, Grein F. Potential energy surfaces of ozone in its ground state and in the lowest-lying eight excited states Chemical Physics. 178: 155-188. DOI: 10.1016/0301-0104(93)85059-H |
0.573 |
|
| 1993 |
Sannigrahi AB, Grein F. Configuration interaction study of the potential energy surface of the three lowest singlet A′ and A″ states of HCP Chemical Physics Letters. 214: 609-614. DOI: 10.1016/0009-2614(93)85691-G |
0.45 |
|
| 1992 |
Hachey M, Karna SP, Grein F. Configuration-interaction studies on the ground state and excited states of b2 Journal of Physics B: Atomic, Molecular and Optical Physics. 25: 1119-1136. DOI: 10.1088/0953-4075/25/6/004 |
0.359 |
|
| 1992 |
Karna SP, Grein F. Dipole moment, electric field gradient and hyperfine coupling constants of the x2П state of ps: Ab initio mrd-ci studies Molecular Physics. 77: 135-141. DOI: 10.1080/00268979200102351 |
0.306 |
|
| 1992 |
Engels B, Perić M, Reuter W, Peyerimhoff SD, Grein F. Study of the hyperfine coupling constants (14N and 1H) of the NH2 molecules in the X 2B1 ground state and the A 2A1 excited state The Journal of Chemical Physics. 96: 4526-4535. DOI: 10.1063/1.462814 |
0.697 |
|
| 1992 |
Banichevich A, Peyerimhoff SD, Grein F. Quintet electronic states in the spectroscopy of ozone Chemical Physics Letters. 195: 459-468. DOI: 10.1016/0009-2614(92)85545-L |
0.577 |
|
| 1992 |
Engels B, Perić M, Reuter W, Peyerimhoff SD, Grein F. Study of the hyperfine coupling constants (14N and 1H) of the NH2 molecules in the X 2B 1 ground state and the A 2A1 excited state The Journal of Chemical Physics. 96: 4526-4535. |
0.348 |
|
| 1991 |
Bruna PJ, Grein F. Low-lying electronic states of ge2 +: A pseudopotential mrd-ci study Molecular Physics. 74: 1133-1145. DOI: 10.1080/00268979100102861 |
0.318 |
|
| 1991 |
Meier U, Peyerimhoff SD, Grein F. Ab initio MRD-CI study of GaAs-, GaAs2(±), Ga2As2(±) and As4 clusters Chemical Physics. 150: 331-351. DOI: 10.1016/0301-0104(91)87107-7 |
0.555 |
|
| 1991 |
Hachey M, Grein F, Steer RP. The 1A1 electronic excited states of H2CS: an ab initio MRD CI study Chemical Physics Letters. 183: 204-208. DOI: 10.1016/0009-2614(91)80051-X |
0.539 |
|
| 1990 |
Karna SP, Grein F, Engels B, Peyerimhoff SD. Ab initio configuration-interaction studies of the ground state potential energy and hyperfine coupling constants of 35Cl2 - Molecular Physics. 69: 549-557. DOI: 10.1080/00268979000100391 |
0.666 |
|
| 1990 |
Funken K, Engels B, Peyerimhoff SD, Grein F. Study of the hyperfine coupling constants of the molecules NH2, NHD and ND2 Chemical Physics Letters. 172: 180-186. DOI: 10.1016/0009-2614(90)87294-2 |
0.647 |
|
| 1990 |
Banichevich A, Peyerimhoff SD, Grein F. Ab initio potential surfaces for ozone dissociation in its ground and various electronically excited states Chemical Physics Letters. 173: 1-6. DOI: 10.1016/0009-2614(90)85293-L |
0.599 |
|
| 1990 |
Karna SP, Grein F. Configuration interaction studies on excited states of linear HCP+ Chemical Physics Letters. 169: 161-164. DOI: 10.1016/0009-2614(90)85181-B |
0.425 |
|
| 1990 |
Meier U, Peyerimhoff SD, Grein F. Ab initio MRD-CI study of neutral and charged Ga2, Ga3 and Ga4 clusters and comparison with corresponding boron and aluminum clusters Zeitschrift FüR Physik D Atoms, Molecules and Clusters. 17: 209-224. DOI: 10.1007/Bf01437901 |
0.513 |
|
| 1990 |
Anglada J, Bruna PJ, Grein F. Theoretical study of low-lying electronic states of CoH+ The Journal of Chemical Physics. 92: 6732-6741. |
0.318 |
|
| 1989 |
Meier U, Peyerimhoff SD, Bruna PJ, Karna SP, Grein F. MRD CI study on the low-lying states of AlP Chemical Physics. 130: 31-44. DOI: 10.1016/0301-0104(89)87034-X |
0.648 |
|
| 1989 |
Meier U, Peyerimhoff SD, Bruna PJ, Grein F. The GaAs and GaAs+ radicals. An ab initio MRD-Cl study Journal of Molecular Spectroscopy. 134: 259-280. DOI: 10.1016/0022-2852(89)90313-5 |
0.627 |
|
| 1989 |
Karna SP, Grein F. Ab initioMO calculations of hyperfine coupling constants. A basis set study for19F,35Cl,19F2?, and35Cl2? International Journal of Quantum Chemistry. 36: 265-275. DOI: 10.1002/Qua.560360310 |
0.356 |
|
| 1989 |
Karna SP, Grein F, Engels B, Peyerimhoff SD. The hyperfine coupling constants of19F?2: An ab initioMRD-CI basis set study International Journal of Quantum Chemistry. 36: 255-263. DOI: 10.1002/Qua.560360309 |
0.613 |
|
| 1988 |
Grein F. Electronic states of PN+ obtained by configuration-interaction studies Chemical Physics. 120: 383-388. DOI: 10.1016/0301-0104(88)87224-0 |
0.323 |
|
| 1988 |
Karna SP, Bruna PJ, Grein F. Electronic states of PS+ obtained by configuration-interaction studies Chemical Physics. 123: 85-89. DOI: 10.1016/0301-0104(88)87034-4 |
0.316 |
|
| 1988 |
Karna SP, Grein F. High-multiplicity states of BN and BN+ obtained by configuration-interaction studies Chemical Physics Letters. 144: 149-152. DOI: 10.1016/0009-2614(88)87107-0 |
0.52 |
|
| 1988 |
Darvesh KV, Grein F. Configuration selection in the MC SCF method. The van der Waals X2Σ+ state of LiHe Chemical Physics Letters. 147: 105-110. DOI: 10.1016/0009-2614(88)80232-X |
0.705 |
|
| 1988 |
Engels B, Peyerimhoff SD, Karna SP, Grein F. The hyperfine coupling constants of the five lowest states of CH: An ab initio MRDCI study Chemical Physics Letters. 152: 397-401. DOI: 10.1016/0009-2614(88)80113-1 |
0.675 |
|
| 1987 |
Bruna PJ, Grein F. The low-lying electronic states X 3Σ-, a 1Δ and b 1Σ+ of PO-, NS- and PS- according to MRD-CI calculations Journal of Physics B: Atomic and Molecular Physics. 20: 5967-5986. DOI: 10.1088/0022-3700/20/22/010 |
0.357 |
|
| 1987 |
Karna SP, Grein F. Configuration-interaction study of low-lying valence states of Bo+ Molecular Physics. 61: 1055-1062. DOI: 10.1080/00268978700101651 |
0.33 |
|
| 1987 |
Karna SP, Grein F. Electronic states of SiF and SiF+: Configuration-interaction studies Journal of Molecular Spectroscopy. 122: 28-40. DOI: 10.1016/0022-2852(87)90216-5 |
0.311 |
|
| 1987 |
Karna SP, Grein F. BO: Low-lying electronic states obtained by configuration-interaction studies Journal of Molecular Spectroscopy. 122: 356-364. DOI: 10.1016/0022-2852(87)90010-5 |
0.324 |
|
| 1987 |
Grein F, Peyerimhoff SD, Klotz R. Theoretical studies on excited states of Ne2 - III. Ab initio spin-orbit studies at large separations for states dissociating to Ne + Ne (3 s) Theoretica Chimica Acta. 72: 403-409. DOI: 10.1007/Bf01192232 |
0.543 |
|
| 1987 |
Grein F, Peyerimhoff SD. Theoretical studies on excited states of Ne2. II. Potential curves for states dissociating to Ne+Ne*(3s) with semiempirical spin-orbit interaction, and comparison with spectroscopic results The Journal of Chemical Physics. 87: 4664-4692. |
0.359 |
|
| 1986 |
Karna SP, Grein F. Electronic states of NS+. A configuration-interaction study Chemical Physics. 109: 35-38. DOI: 10.1016/0301-0104(86)80182-3 |
0.561 |
|
| 1986 |
Grein F. Ab initio Cl studies on ground and excited states of thioborine, HBS Journal of Molecular Spectroscopy. 115: 47-57. DOI: 10.1016/0022-2852(86)90274-2 |
0.388 |
|
| 1986 |
Karna SP, Grein F. Low-lying valence and Rydberg states of NS, obtained by configuration-interaction studies Journal of Molecular Spectroscopy. 120: 284-291. DOI: 10.1016/0022-2852(86)90004-4 |
0.35 |
|
| 1986 |
Karna SP, Grein F. Semidiffuse states of diatomic molecules: Configuration interaction studies of the lowest2?+ and2? states of NS, SiF, and CCI International Journal of Quantum Chemistry. 30: 449-449. DOI: 10.1002/qua.560300313 |
0.357 |
|
| 1985 |
Karna SP, Grein F. Ground and low-lying excited states of BN+ and BN- obtained by configuration-interaction methods Molecular Physics. 56: 641-652. DOI: 10.1080/00268978500102581 |
0.364 |
|
| 1985 |
Grein F, Peyerimhoff SD, Buenker RJ. Theoretical studies on excited states of Ne2. I. MRD‐CI potential energy curves The Journal of Chemical Physics. 82: 353-363. DOI: 10.1063/1.448753 |
0.562 |
|
| 1985 |
Karna SP, Grein F. Ground and low-lying valence states of BN: A CI study Chemical Physics. 98: 207-219. DOI: 10.1016/0301-0104(85)80134-8 |
0.348 |
|
| 1985 |
Grein F. Barrier to internal rotation in hydrogen persulfide Chemical Physics Letters. 116: 323-325. DOI: 10.1016/0009-2614(85)80177-9 |
0.378 |
|
| 1985 |
Grein F, Peyerimhoff SD, Buenker RJ. Theoretical studies on excited states of Ne2. I. MRD-Cl potential energy curves The Journal of Chemical Physics. 82: 353-363. |
0.374 |
|
| 1984 |
Grein F, Peyerimhoff SD, Buenker RJ. Ab initio studies on the oscillator strength of the spin-forbidden transition in Cl2 Canadian Journal of Physics. 62: 1928-1932. DOI: 10.1139/P84-235 |
0.515 |
|
| 1983 |
Lefebvre-Brion H, Grein F. Comment on "Configuration interaction studies on low-lying valence and Rydberg states of PO" The Journal of Chemical Physics. 79: 1102. |
0.343 |
|
| 1982 |
Grein F, Kapur A. Configuration interaction studies on low-lying valence and Rydberg states of PO The Journal of Chemical Physics. 78: 339-346. |
0.341 |
|
| 1981 |
Vasudevan K, Grein F. Configuration interaction studies on low-lying excited states of acetyl fluoride Chemical Physics Letters. 83: 526-528. DOI: 10.1016/0009-2614(81)85515-7 |
0.488 |
|
| 1980 |
Lawlor L, Vasudevan K, Grein F. Bond functions and 3d polarization functions for fluorine bonded molecules Chemical Physics Letters. 75: 79-83. DOI: 10.1016/0009-2614(80)80468-4 |
0.32 |
|
| 1979 |
Vasudevan K, Grein F. Ab initio studies of the low-lying π-states of borazine Theoretica Chimica Acta. 52: 219-229. DOI: 10.1007/BF00547680 |
0.409 |
|
| 1978 |
Banerjee A, Grein F. Multiconfiguration wavefunctions and rotation-vibration analysis for the two lowest 3Π states of NH Chemical Physics. 35: 119-127. DOI: 10.1016/0301-0104(78)85198-2 |
0.319 |
|
| 1977 |
Banerjee A, Grein F. Multiconfiguration wavefunctions for excited states. Selection of optimal configurations: The b 1Σ+ and d 1Σ+ states of NH The Journal of Chemical Physics. 66: 1054-1062. DOI: 10.1063/1.434061 |
0.516 |
|
| 1977 |
Banerjee A, Grein F. Multiconfiguration wavefunctions for excited states. Selection of optimal configurations: The b 1Sigma;+ and d 1Sigma;+ states of NH The Journal of Chemical Physics. 66: 1054-1062. |
0.346 |
|
| 1976 |
Banerjee A, Grein F. Rotation-vibration analysis by finite difference perturbation technique. Application to 1Σ+ states of NH The Journal of Chemical Physics. 66: 2589-2597. DOI: 10.1063/1.434258 |
0.467 |
|
| 1976 |
Bialski M, Grein F. Theoretical studies on low-lying valence states of NS, SiF, and CCl Journal of Molecular Spectroscopy. 61: 321-331. DOI: 10.1016/0022-2852(76)90322-2 |
0.356 |
|
| 1975 |
Grein F, Banerjee A. Variational wavefunctions for low-lying excited states Chemical Physics Letters. 31: 281-285. DOI: 10.1016/0009-2614(75)85021-4 |
0.492 |
|
| 1974 |
Grein F, Banerjee A. A comparison of singly excited and pair-excited multiconfiguration wavefunctions for the ground states of the atoms He to F Chemical Physics Letters. 25: 255-258. DOI: 10.1016/0009-2614(74)89130-X |
0.444 |
|
| 1973 |
Tseng TJ, Grein F. Low‐lying valence states of the PO molecule according to configuration‐interaction calculations The Journal of Chemical Physics. 59: 6563-6569. DOI: 10.1063/1.1680035 |
0.363 |
|
| 1971 |
Young WF, Grein F, Passmore J, Unger I. The Triplet State of Borazine Canadian Journal of Chemistry. 49: 233-235. DOI: 10.1139/v71-040 |
0.363 |
|
| 1971 |
Grein F, Chang TC. Multiconfiguration wavefunctions obtained by application of the generalized Brillouin theorem Chemical Physics Letters. 12: 44-48. DOI: 10.1016/0009-2614(71)80612-7 |
0.38 |
|
| 1970 |
Grein F, Tseng TJ. Configuration interaction combined with a correlation factor for two-electron atoms Chemical Physics Letters. 7: 506-510. DOI: 10.1016/0009-2614(70)80160-9 |
0.417 |
|
| 1968 |
Grein F, Tseng TJ. Correlated one-center wavefunctions for two-electron molecules - II. Configuration-interaction functions and application to HeH+ Theoretica Chimica Acta. 12: 57-65. DOI: 10.1007/BF00527007 |
0.348 |
|
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