| 121 |
|
Ab initio heats of formation for chlorinated hydrocarbons: Allyl chloride, cis- and trans-1-chloropropene, and vinyl chloride
|
Colegrove, B. T
|
American Institute of Physics
|
1980
|
|
|
|
| 122 |
|
Ab initio investigation of the N~2-HF complex: Accurate structure and energetics
|
Woon, D. E
|
American Institute of Physics
|
1980
|
|
|
|
| 123 |
|
Ab initio modeling of boron clustering in silicon/
|
Liu, Xiang-Yang
|
American Institute of Physics
|
2000
|
|
|
|
| 124 |
|
Ab initio molecular dynamics simulation of liquid hydrogen fluoride
|
Roethlisberger, U
|
American Institute of Physics
|
1980
|
|
|
|
| 125 |
|
Ab initio molecular dynamics simulation of liquid water: Comparison of three gradient-corrected density functionals
|
Sprik, M
|
American Institute of Physics
|
1980
|
|
|
|
| 126 |
|
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
|
|
|
|
| 127 |
|
Ab initio molecular dynamics study of polyfluoride anions
|
Von Rosenvinge, T
|
American Institute of Physics
|
1980
|
|
|
|
| 128 |
|
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
|
|
|
|
| 129 |
|
Ab initio molecular orbital model of scanning tunneling microscopy
|
Fujita, T
|
American Institute of Physics
|
1980
|
|
|
|
| 130 |
|
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
|
|
|
|
| 131 |
|
Ab initio molecular orbital study of the HCO+O~2 reaction: Direct versusindirect abstraction channels
|
Hsu, C.-C
|
American Institute of Physics
|
1980
|
|
|
|
| 132 |
|
Ab initio molecular orbital study of the mechanism of photodissociation trans-azomethane
|
Liu, R
|
American Institute of Physics
|
1980
|
|
|
|
| 133 |
|
Ab initio MO studies of neutral and anionic SiC~n clusters (n=2-5)
|
Gomel, M
|
American Institute of Physics
|
1980
|
|
|
|
| 134 |
|
Ab initio numerical simulation of left-handed metamaterials: Comparison of calculations and experiments/
|
Weiland, T
|
American Institute of Physics
|
2001
|
|
|
|
| 135 |
|
Ab initio path integral molecular dynamics: Basic ideas
|
Marx, D
|
American Institute of Physics
|
1980
|
|
|
|
| 136 |
|
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
|
|
|
|
| 137 |
|
Ab initio potential energy surface and rovibrational energies of Ar桁�O
|
Shin, S
|
American Institute of Physics
|
1980
|
|
|
|
| 138 |
|
Ab initio potential energy surfaces and nonadiabatic couplings involved in Be^4^++H~2 electron rearrangement
|
Errea, L. F
|
American Institute of Physics
|
1980
|
|
|
|
| 139 |
|
Ab initio pseudopotential calculation of the photo-response of metal clusters
|
Pacheco, J. M
|
American Institute of Physics
|
1980
|
|
|
|
| 140 |
|
Ab initio pseudopotential calculations of InAs/AlSb heterostructures
|
Ren, S.-F
|
American Institute of Physics
|
1980
|
|
|
|