21 |
|
Ab initio cluster model calculations on the boson peak frequencies of B~2O~3 glass
|
Uchino, T
|
American Institute of Physics
|
1980
|
|
|
22 |
|
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
|
|
|
23 |
|
Ab initio computation of semiempirical �electron methods. V. Geometry dependence of H^v �electron effective integrals
|
Martin, C. H
|
American Institute of Physics
|
1980
|
|
|
24 |
|
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
|
|
|
25 |
|
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
|
|
|
26 |
|
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
|
|
|
27 |
|
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
|
|
|
28 |
|
Ab initio direct dynamics study of OH+HCl->Cl+H~2O
|
Steckler, R
|
American Institute of Physics
|
1980
|
|
|
29 |
|
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
|
|
|
30 |
|
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
|
|
|
31 |
|
Ab initio finite oligomer method for nonlinear optical properties of conjugated polymers: Nonresonant frequency dispersion in polyacetylene
|
Hasan, M
|
American Institute of Physics
|
1980
|
|
|
32 |
|
Ab initio geometry, quartic force field, and vibrational frequencies forP~4
|
Persson, B. J
|
American Institute of Physics
|
1980
|
|
|
33 |
|
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
|
|
|
34 |
|
Ab initio investigation of the N~2-HF complex: Accurate structure and energetics
|
Woon, D. E
|
American Institute of Physics
|
1980
|
|
|
35 |
|
Ab initio molecular dynamics simulation of liquid hydrogen fluoride
|
Roethlisberger, U
|
American Institute of Physics
|
1980
|
|
|
36 |
|
Ab initio molecular dynamics simulation of liquid water: Comparison of three gradient-corrected density functionals
|
Sprik, M
|
American Institute of Physics
|
1980
|
|
|
37 |
|
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
|
|
|
38 |
|
Ab initio molecular dynamics study of polyfluoride anions
|
Von Rosenvinge, T
|
American Institute of Physics
|
1980
|
|
|
39 |
|
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
|
|
|
40 |
|
Ab initio molecular orbital model of scanning tunneling microscopy
|
Fujita, T
|
American Institute of Physics
|
1980
|
|
|