| 1 |
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 |
| 2 |
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 |
| 3 |
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 |
| 4 |
Multilevel geometry optimization
Rodgers JM, Fast PL, Truhlar DG
Journal of Chemical Physics, 112(7), 3141, 2000 |
| 5 |
The silaketenylidene (SiCO) molecule: Characterization of the (X)over-tilde(3)Sigma(-) and (A)over-tilde(3)Pi states
Petraco NDK, Brown ST, Yamaguchi Y, Schaefer HF
Journal of Chemical Physics, 112(7), 3201, 2000 |
| 6 |
Relativistic MCSCF by means of quasidegenerate direct perturbation theory. II. Preliminary applications
Liu WJ, Kutzelnigg W, van Wullen C
Journal of Chemical Physics, 112(8), 3559, 2000 |
| 7 |
Vibrationally resolved photoelectron spectra of CuCN- and AgCN-and ab initio studies of the structure and bonding in CuCN
Boldyrev AI, Li X, Wang LS
Journal of Chemical Physics, 112(8), 3627, 2000 |
| 8 |
Singlet excited states of Be-2
Pecul M, Jaszunski M, Larsen H, Jorgensen P
Journal of Chemical Physics, 112(8), 3671, 2000 |
| 9 |
Anharmonic force field, vibrational energies, and barrier to inversion of SiH3-
Aarset K, Csaszar AG, Sibert EL, Allen WD, Schaefer HF, Klopper W, Noga J
Journal of Chemical Physics, 112(9), 4053, 2000 |
| 10 |
An accurate H-2-H-2 interaction potential from first principles
Diep P, Johnson JK
Journal of Chemical Physics, 112(10), 4465, 2000 |
