41 |
|
Ab initio molecular dynamics simulation of liquid water: Comparison of three gradient-corrected density functionals
|
Sprik, M
|
American Institute of Physics
|
1980
|
|
|
42 |
|
Ab initio molecular dynamics studies on volume stability of Voronoi polyhedra under pressures in a metal glass
|
Aoki, M. I
|
American Institute of Physics
|
1980
|
|
|
43 |
|
Ab initio molecular dynamics study of polyfluoride anions
|
Von Rosenvinge, T
|
American Institute of Physics
|
1980
|
|
|
44 |
|
Ab initio molecular dynamics study of solid- to liquidlike transitions in Li^+~9, Li~1~0, and Li^+~1~1 clusters
|
Bonacic-Koutecky, V
|
American Institute of Physics
|
1980
|
|
|
45 |
|
Ab initio molecular orbital model of scanning tunneling microscopy
|
Fujita, T
|
American Institute of Physics
|
1980
|
|
|
46 |
|
Ab initio molecular orbital studies on the structure, energies, and photodissociation of the electronic excited states of C~2H
|
Cui, Q
|
American Institute of Physics
|
1980
|
|
|
47 |
|
Ab initio molecular orbital study of the HCO+O~2 reaction: Direct versusindirect abstraction channels
|
Hsu, C.-C
|
American Institute of Physics
|
1980
|
|
|
48 |
|
Ab initio molecular orbital study of the mechanism of photodissociation trans-azomethane
|
Liu, R
|
American Institute of Physics
|
1980
|
|
|
49 |
|
Ab initio MO studies of neutral and anionic SiC~n clusters (n=2-5)
|
Gomel, M
|
American Institute of Physics
|
1980
|
|
|
50 |
|
Ab initio numerical simulation of left-handed metamaterials: Comparison of calculations and experiments/
|
Weiland, T
|
American Institute of Physics
|
2001
|
|
|
51 |
|
Ab initio path integral molecular dynamics: Basic ideas
|
Marx, D
|
American Institute of Physics
|
1980
|
|
|
52 |
|
Ab initio potential-energy surface and rotationally inelastic integral cross sections of the Ar-CH~4 complex
|
Heijmen, T. G. A
|
American Institute of Physics
|
1980
|
|
|
53 |
|
Ab initio potential energy surface and rovibrational energies of Ar桁�O
|
Shin, S
|
American Institute of Physics
|
1980
|
|
|
54 |
|
Ab initio potential energy surfaces and nonadiabatic couplings involved in Be^4^++H~2 electron rearrangement
|
Errea, L. F
|
American Institute of Physics
|
1980
|
|
|
55 |
|
Ab initio pseudopotential calculation of the photo-response of metal clusters
|
Pacheco, J. M
|
American Institute of Physics
|
1980
|
|
|
56 |
|
Ab initio pseudopotential calculations of InAs/AlSb heterostructures
|
Ren, S.-F
|
American Institute of Physics
|
1980
|
|
|
57 |
|
Ab initio quantum chemical calculation of electron transfer matrix elements for large molecules
|
Yu Zhang, L
|
American Institute of Physics
|
1980
|
|
|
58 |
|
Ab initio quartic force fields for anions: A benchmark study on ^1^6OH-,^1^8OH-, and ^1^6OD^-
|
Lee, T. J
|
American Institute of Physics
|
1980
|
|
|
59 |
|
Ab initio relativistic effective potentials with spin-orbit operators. VII. Am through element 118
|
Nash, C. S
|
American Institute of Physics
|
1980
|
|
|
60 |
|
Ab initio scaling of the second hyperpolarizabilities of carbon cages
|
Fanti, M
|
American Institute of Physics
|
1980
|
|
|