| 1 |
Gauge origin independence in finite basis sets and perturbation theory
Sorensen LK, Lindh R, Lundberg M
Chemical Physics Letters, 683, 536, 2017 |
| 2 |
Segmented all-electron Gaussian basis sets of double and triple zeta qualities for Fr, Ra, and Ac
Campos CT, de Oliveira AZ, Ferreira IB, Jorge FE, Martins LSC
Chemical Physics Letters, 675, 1, 2017 |
| 3 |
Electronic structure of diatomic molecules composed of a first-row transition metal and main-group element (H-F)
Harrison JF
Chemical Reviews, 100(2), 679, 2000 |
| 4 |
Addition of ammonia to AlH3 and BH3. Why does only aluminum form 2 : 1 adducts?
Czerw M, Goldman AS, Krogh-Jespersen K
Inorganic Chemistry, 39(2), 363, 2000 |
| 5 |
Mechanism of the S -> N isomerization and aquation of the thiocyanato pentaammine cobalt(III) ion
Rotzinger FP, Benoit DM
Inorganic Chemistry, 39(5), 944, 2000 |
| 6 |
Theoretical study of the mechanisms of palladation of methylenecyclopropane and [3+2] cycloadditions
Suzuki T, Fujimoto H
Inorganic Chemistry, 39(6), 1113, 2000 |
| 7 |
Syntheses, molecular structures, and vibrational spectra of chloropentacarbonylrhodium(III) and -iridium(III) undecafluorodiantimonate(V), [Rh(CO)(5)Cl][Sb2F11](2) and [Ir(CO)(5)Cl][Sb2F11](2): An experimental and density functional study
Willner H, Bach C, Wartchow R, Wang CQ, Rettig SJ, Trotter J, Jonas V, Thiel W, Aubke F
Inorganic Chemistry, 39(9), 1933, 2000 |
| 8 |
Theoretical studies of molybdenum peroxo complexes [MoOn(O-2)(3-n)(OPH3)] as catalysts for olefin epoxidation
Deubel DV, Sundermeyer J, Frenking G
Inorganic Chemistry, 39(11), 2314, 2000 |
| 9 |
A new isochemical model of the water molecule
Santilli RM, Shillady DD
International Journal of Hydrogen Energy, 25(2), 173, 2000 |
| 10 |
Direct calculation of anharmonic vibrational states of polyatomic molecules using potential energy surfaces calculated from density functional theory
Wright NJ, Gerber RB
Journal of Chemical Physics, 112(6), 2598, 2000 |
