101 |
|
Ab initio characterization of the structure and energetics of the ArHF complex
|
Van Mourik, T
|
American Institute of Physics
|
1980
|
|
|
102 |
|
Ab initio cluster model calculations on the boson peak frequencies of B~2O~3 glass
|
Uchino, T
|
American Institute of Physics
|
1980
|
|
|
103 |
|
Ab initio cluster model calculations on the vibrational frequencies of TeO~2 glass
|
Uchino, T
|
North-Holland
|
1980
|
|
|
104 |
|
Ab initio collision-induced polarizability, polarized and depolarized Raman spectra, and second dielectric virial coefficient of the helium diatom
|
Moszynski, R
|
American Institute of Physics
|
1980
|
|
|
105 |
|
Ab Initio Computational Examination of Carbonyl Reductions by Borane: The Importance of Lewis Acid-Base Interactions
|
DiMare, M
|
American Chemical Society [etc.]
|
1980
|
|
|
106 |
|
Ab initio computation of semiempirical �electron methods. V. Geometry dependence of H^v �electron effective integrals
|
Martin, C. H
|
American Institute of Physics
|
1980
|
|
|
107 |
|
Ab initio configuration interaction calculations of the potential curvesand lifetimes of the low-lying electronic states of the lead dimer
|
Das, K. K. Liebermann, H.-P
|
American Institute of Physics
|
1980
|
|
|
108 |
|
Ab initio configuration interaction calculations of the predissociation of rovibrational levels of the C ^3cap pi~g and d ^1cap pi~g 3 s�Rydbergstates of the oxygen molecule
|
Li, Y
|
American Institute of Physics
|
1980
|
|
|
109 |
|
Ab initio configuration interaction determination of the overtone vibrations of methyleneimine in the region 2800-3200 cm^-^1
|
Pouchan, C
|
American Institute of Physics
|
1980
|
|
|
110 |
|
Ab Initio Density Functional vs Hartree Fock Predictions for the Structure of [18]Annulene: Evidence for Bond Localization and Diminished Ring Currents in Bicycloannelated [18]Annulenes
|
Baldridge, K. K
|
VCH Verlagsgesellschaft mbH, [etc.]
|
1980
|
|
|
111 |
|
Ab initio diffusional potential energy surface for CO chemisorption on Pd{110} at high coverage: Coupled translation and rotation
|
Hu, P
|
American Institute of Physics
|
1980
|
|
|
112 |
|
Ab initio direct dynamics study of OH+HCl->Cl+H~2O
|
Steckler, R
|
American Institute of Physics
|
1980
|
|
|
113 |
|
Ab initio dynamic multipole polarizabilities and hyperpolarizabilities of H~2O and the long-range interaction coefficients for its dimer
|
Spelsberg, D
|
American Institute of Physics
|
1980
|
|
|
114 |
|
Ab initio electronic structure of PtH^+, PtH, Pt~2, and Pt~2H from a one-electron pseudopotential approach
|
Zurita, S
|
American Institute of Physics
|
1980
|
|
|
115 |
|
Ab Initio Examination of Anomeric Effects in Tetrahydropyrans, 1,3-Dioxanes, and Glucose
|
Salzner, U
|
American Chemical Society [etc.]
|
1980
|
|
|
116 |
|
Ab initio explanation of the apparent violation of detailed balance for H~2 adsorption/desorption from Si(100)
|
Radeke, M. R
|
North-Holland Pub. Co
|
1980
|
|
|
117 |
|
Ab initio finite oligomer method for nonlinear optical properties of conjugated polymers: Nonresonant frequency dispersion in polyacetylene
|
Hasan, M
|
American Institute of Physics
|
1980
|
|
|
118 |
|
Ab initio geometry, quartic force field, and vibrational frequencies forP~4
|
Persson, B. J
|
American Institute of Physics
|
1980
|
|
|
119 |
|
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
|
|
|
120 |
|
Ab Initio/IGLO/GIAO-MP2 Studies of Fluorocarbocations: Experimental and Theoretical Investigation of the Cleavage Reaction of Trifluoroacetic Acid in Superacids
|
Surya Prakash, G. K
|
American Chemical Society [etc.]
|
1980
|
|
|