| Twist angles and rotational energy barriers of biphenyl and substituted biphenyls F Grein The Journal of Physical Chemistry A 106 (15), 3823-3827, 2002 | 260 | 2002 |
| Potential energy surfaces of ozone in its ground state and in the lowest-lying eight excited states A Banichevich, SD Peyerimhoff, F Grein Chemical physics 178 (1-3), 155-188, 1993 | 161 | 1993 |
| Multiconfiguration wavefunctions obtained by application of the generalized Brillouin theorem F Grein, TC Chang Chemical Physics Letters 12 (1), 44-48, 1971 | 158 | 1971 |
| Complete to second-orderab initio level calculations of electronicg-tensors GH Lushington, F Grein Theoretica chimica acta 93 (5), 259-267, 1996 | 109 | 1996 |
| Two new anisotropic potential energy surfaces for nitrogen-helium: the use of Hartree-Fock SCF calculations and a combining rule for anisotropic long-range dispersion coefficients RR Fuchs, FRW McCourt, AJ Thakkar, F Grein The Journal of Physical Chemistry 88 (10), 2036-2045, 1984 | 99 | 1984 |
| Multireference configuration interaction calculations of electronic g-tensors for NO2, H2O+, and CO+ GH Lushington, F Grein The Journal of chemical physics 106 (8), 3292-3300, 1997 | 96 | 1997 |
| Ab initio MRD-CI study of GaAs-, GaAs2 (±), Ga2As2 (±) and As4 clusters U Meier, SD Peyerimhoff, F Grein Chemical physics 150 (3), 331-351, 1991 | 92 | 1991 |
| Theoretical and experimental studies on the Baeyer− Villiger oxidation of ketones and the effect of α-halo substituents F Grein, AC Chen, D Edwards, CM Crudden The Journal of Organic Chemistry 71 (3), 861-872, 2006 | 90 | 2006 |
| Ab initio study of molecular g‐tensors GH Lushington, P Bündgen, F Grein International Journal of Quantum Chemistry 55 (5), 377-392, 1995 | 86 | 1995 |
| N-Heterocyclic Carbene Complexes of Rh: Reaction with Dioxygen without Oxidation JM Praetorius, DP Allen, R Wang, JD Webb, F Grein, P Kennepohl, ... Journal of the American Chemical Society 130 (12), 3724-3725, 2008 | 84 | 2008 |
| Ab initio potential surfaces for ozone dissociation in its ground and various electronically excited states A Banichevich, SD Peyerimhoff, F Grein Chemical physics letters 173 (1), 1-6, 1990 | 79 | 1990 |
| A multiconfiguration method for excited states of atoms and molecules F Grein, A Banerjee International Journal of Quantum Chemistry 9 (S9), 147-154, 1975 | 72 | 1975 |
| Electronic and molecular structures of the octahedral Cp6M6A8, trigonal-bipyramidal Cp5M5A6, and tetrahedral Cp4M4A4 clusters F Bottomley, F Grein Inorganic Chemistry 21 (12), 4170-4178, 1982 | 71 | 1982 |
| Convergence behavior of some multiconfiguration methods A Banerjee, F Grein International Journal of Quantum Chemistry 10 (1), 123-134, 1976 | 70 | 1976 |
| 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.) MRJ Hachey, PJ Bruna, F Grein The Journal of Physical Chemistry 99 (20), 8050-8057, 1995 | 67 | 1995 |
| Multiconfiguration wavefunctions for excited states. Selection of optimal configurations: The b 1Σ+ and d 1Σ+ states of NH A Banerjee, F Grein The Journal of Chemical Physics 66 (3), 1054-1062, 1977 | 62 | 1977 |
| New theoretical studies on the dihedral angle and energy barriers of biphenyl F Grein Journal of Molecular Structure: THEOCHEM 624 (1-3), 23-28, 2003 | 61 | 2003 |
| Ab initio MRD-CI study of neutral and charged Ga2, Ga3 and Ga4 clusters and comparison with corresponding boron and aluminum clusters U Meier, SD Peyerimhoff, F Grein Zeitschrift für Physik D Atoms, Molecules and Clusters 17, 209-224, 1990 | 61 | 1990 |
| Dipole and quadrupole moments of small molecules. An ab initio study using perturbatively corrected, multi-reference, configuration interaction wave functions P Bündgen, F Grein, AJ Thakkar Journal of Molecular Structure: THEOCHEM 334 (1), 7-13, 1995 | 60 | 1995 |
| Rotationally inelastic scattering and potential calculations for Ne + CH4 U Buck, A Kohlhase, D Secrest, T Phillips, G Scoles, F Grein Molecular Physics 55 (6), 1233-1253, 1985 | 57 | 1985 |
