1401 |
|
Ab initio potential energy surface and vibrational energies of Li^-~3
|
Von Nagy-Felsobuki, E. I. McCourt, F. R. W. Wang, F.
|
North Holland
|
1997
|
|
|
1402 |
|
Ab initio potential energy surface of Ne-OCS
|
Yan, G. Yang, M. Xie, D.
|
North Holland
|
1997
|
|
|
1403 |
|
Ab initio potential energy surfaces and nonadiabatic couplings involved in Be^4^++H~2 electron rearrangement
|
Errea, L. F
|
American Institute of Physics
|
1980
|
|
|
1404 |
|
Ab initio potential energy surfaces for the large-amplitude motions of quasi-symmetric top molecules: CH~3NCS and SiH~3NCO
|
Koput, J.
|
North Holland
|
1996
|
|
|
1405 |
|
Ab initio potential functions for the ionic states of OH
|
Nemukhin, A. V. Grigorenko, B. L.
|
North Holland
|
1997
|
|
|
1406 |
|
Ab initio predictions of ferroelectric ternary fluorides with the LiNbO~3 structure/
|
Claeyssens, F
|
Royal Society of Chemistry
|
2003
|
|
|
1407 |
|
Ab initio propagator analysis of triple-charge-transfer spectra for carbon disulphide
|
Parry, D. E.
|
North Holland
|
1997
|
|
|
1408 |
|
Ab initio pseudopotential calculation of the equilibrium structure of tin monoxide (9 pages)/
|
Meyer, Madeleine
|
Published for the American Physical Society by the American Institute of Physics
|
2001
|
|
|
1409 |
|
Ab initio pseudopotential calculation of the photo-response of metal clusters
|
Pacheco, J. M
|
American Institute of Physics
|
1980
|
|
|
1410 |
|
Ab initio pseudopotential calculations of InAs/AlSb heterostructures
|
Ren, S.-F
|
American Institute of Physics
|
1980
|
|
|
1411 |
|
Ab initio quantum chemical calculation of electron transfer matrix elements for large molecules
|
Yu Zhang, L
|
American Institute of Physics
|
1980
|
|
|
1412 |
|
Ab initio quantum chemical calculations of geometry and vibrational frequencies of chlorine heptoxide
|
Parthiban, S
|
Pergamon Press
|
1980
|
|
|
1413 |
|
Ab initio quantum dynamics of H~2/Si(100) adsorption/ desorption on a 3-D potential
|
Kratzer, P
|
North-Holland Pub. Co
|
1980
|
|
|
1414 |
|
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
|
|
|
1415 |
|
Ab initio quantum mechanical investigation of the photodissociation of HI and DI
|
Balakrishnan, N
|
North Holland
|
2001
|
|
|
1416 |
|
Ab initio quantum mechanical studies of the kinetics and mechanisms of quartz dissolution: OH^- catalysis
|
Xiao, Y
|
Pergamon Press
|
1980
|
|
|
1417 |
|
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
|
|
|
1418 |
|
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
|
|
|
1419 |
|
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
|
|
|
1420 |
|
Ab initio relativistic effective potentials with spin-orbit operators. VII. Am through element 118
|
Nash, C. S
|
American Institute of Physics
|
1980
|
|
|