121 |
|
Ab Initio Investigation of the 3-Aza-Cope Reaction
|
Walters, M. A
|
American Chemical Society [etc.]
|
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 molecular dynamics for liquid metals
|
Kresse, G
|
North-Holland
|
1980
|
|
|
124 |
|
Ab initio Molecular Dynamics Simulation of Laser Melting of Silicon
|
Silvestrelli, P. L
|
American Physical Society
|
1980
|
|
|
125 |
|
Ab initio molecular dynamics simulation of liquid hydrogen fluoride
|
Roethlisberger, U
|
American Institute of Physics
|
1980
|
|
|
126 |
|
Ab initio molecular dynamics simulation of liquid water: Comparison of three gradient-corrected density functionals
|
Sprik, M
|
American Institute of Physics
|
1980
|
|
|
127 |
|
Ab Initio Molecular Dynamics Simulations for Collision between C~6~0^- and Alkali-Metal Ions: A Possibility of Li@ C~6~0
|
Ohno, K
|
American Physical Society
|
1980
|
|
|
128 |
|
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
|
|
|
129 |
|
Ab initio molecular dynamics study of polyfluoride anions
|
Von Rosenvinge, T
|
American Institute of Physics
|
1980
|
|
|
130 |
|
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
|
|
|
131 |
|
Ab Initio Molecular Dynamics Study of the Desorption of D~2 from Si(100)
|
Gross, A
|
American Physical Society
|
1980
|
|
|
132 |
|
Ab Initio Molecular Orbital Calculations of Ring Opening of Cyclopropylcarbinyl Radicals
|
Martinez, F. N
|
American Chemical Society [etc.]
|
1980
|
|
|
133 |
|
Ab initio molecular orbital model of scanning tunneling microscopy
|
Fujita, T
|
American Institute of Physics
|
1980
|
|
|
134 |
|
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
|
|
|
135 |
|
Ab initio molecular orbital study of the HCO+O~2 reaction: Direct versusindirect abstraction channels
|
Hsu, C.-C
|
American Institute of Physics
|
1980
|
|
|
136 |
|
Ab initio molecular orbital study of the mechanism of photodissociation trans-azomethane
|
Liu, R
|
American Institute of Physics
|
1980
|
|
|
137 |
|
Ab Initio Molecular Orbital Study on Inversion Mechanism of TrimethyleneBridges of [3~3](1,3,5)- and [3~6](1,2,3,4,S,6)Cyclophanes
|
Hori, K
|
Pergamon Press
|
1980
|
|
|
138 |
|
Ab initio molecular orbital study on the mechanism of amide hydrolysis dependent on leaving groups
|
Hori, K
|
Pergamon Press
|
1980
|
|
|
139 |
|
Ab initio MO studies of neutral and anionic SiC~n clusters (n=2-5)
|
Gomel, M
|
American Institute of Physics
|
1980
|
|
|
140 |
|
Ab-Initio MO Study of the Peracid Oxidation of Dimethyl Thiosulfinate
|
Benassi, R
|
American Chemical Society [etc.]
|
1980
|
|
|