141 |
|
Ab initio MRD-CI study of the electronic states of the gallium dimer
|
Das, K. K
|
IOP Pub
|
1980
|
|
|
142 |
|
Ab initio multichannel quantum defects for the ^1A~1 Rydberg states of H~2O
|
Petsalakis, I. D
|
IOP Pub
|
1980
|
|
|
143 |
|
Ab initio NMR Chemical Shift of Diamond, Chemical-Vapor-Deposited Diamond, and Amorphous Carbon
|
Mauri, F
|
American Physical Society
|
1980
|
|
|
144 |
|
Ab initio path integral molecular dynamics: Basic ideas
|
Marx, D
|
American Institute of Physics
|
1980
|
|
|
145 |
|
Ab Initio Photoabsorption Spectra and Structures of Small Semiconductor and Metal Clusters
|
Rubio, A
|
American Physical Society
|
1980
|
|
|
146 |
|
Ab Initio Photoabsorption Spectra and Structures of Small Semiconductor and Metal Clusters [Phys. Rev Lett. 77, 247 (1996)]
|
Rubio, A
|
American Physical Society
|
1980
|
|
|
147 |
|
Ab initio potential energy curves of Rydberg, valence and continuum states of NO
|
Rabadan, I
|
IOP Pub
|
1980
|
|
|
148 |
|
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
|
|
|
149 |
|
Ab initio potential energy surface and rovibrational energies of Ar桁�O
|
Shin, S
|
American Institute of Physics
|
1980
|
|
|
150 |
|
Ab initio potential energy surfaces and nonadiabatic couplings involved in Be^4^++H~2 electron rearrangement
|
Errea, L. F
|
American Institute of Physics
|
1980
|
|
|
151 |
|
Ab initio pseudopotential calculation of the photo-response of metal clusters
|
Pacheco, J. M
|
American Institute of Physics
|
1980
|
|
|
152 |
|
Ab initio pseudopotential calculations of InAs/AlSb heterostructures
|
Ren, S.-F
|
American Institute of Physics
|
1980
|
|
|
153 |
|
Ab initio quantum chemical calculation of electron transfer matrix elements for large molecules
|
Yu Zhang, L
|
American Institute of Physics
|
1980
|
|
|
154 |
|
Ab initio quantum chemical calculations of geometry and vibrational frequencies of chlorine heptoxide
|
Parthiban, S
|
Pergamon Press
|
1980
|
|
|
155 |
|
Ab initio quantum dynamics of H~2/Si(100) adsorption/ desorption on a 3-D potential
|
Kratzer, P
|
North-Holland Pub. Co
|
1980
|
|
|
156 |
|
Ab initio quantum mechanical gas phase and reaction field solvation study on the proton abstraction from hydroxyacetaldehyde by formate: implications for enzyme catalysis
|
Peraekylae, M
|
Royal Society of Chemistry
|
1980
|
|
|
157 |
|
Ab initio quantum mechanical studies of the kinetics and mechanisms of quartz dissolution: OH^- catalysis
|
Xiao, Y
|
Pergamon Press
|
1980
|
|
|
158 |
|
Ab Initio Quantum Mechanical Study on the Origin of the pK~a Differencesof the Proton Sponges 1,8-Bis(dimethylamino)naphthalene, 1,8-Bis(dimethylamino)-2,7-dimethoxynaphthalene, 1,6-Dimethyl-1,6-diazacyclodecane, and 1,6-Diazabicyclo[4.4.4]tetradecane
|
Peraekylae, M
|
American Chemical Society [etc.]
|
1980
|
|
|
159 |
|
Ab initio quantum mehanical vibrational analysis of planar AX~3 molecules (A is Al, Ga, In; X is F, Cl, Br, I)
|
Ystenes, B. K
|
Pergamon Press
|
1980
|
|
|
160 |
|
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
|
|
|