Results 161 to 168 of about 38,282 (168)

An accurate potential energy curve for helium based on ab initio calculations

Journal of Chemical Physics, 1997
R A Aziz, Aziz R A
exaly  

Electronic isomers in [(CO2)nROH]− cluster anions. II. Ab initio calculations

Journal of Chemical Physics, 1999
Morihisa Saeki, Tatsuya Tsukuda, Suehiro Iwata   +2 more
exaly  

Electronic structure and chemical bonding of B5− and B5 by photoelectron spectroscopy andab initiocalculations

Journal of Chemical Physics, 2002
Hua-Jin Zhai, Lai-Sheng Wang, Anastassia N Alexandrova   +2 more
exaly  

Ab initio model potential calculations on the electronic spectrum of Ni2+‐doped MgO including correlation, spin–orbit and embedding effects

Journal of Chemical Physics, 1996
Rosa Llusar, Zoila Barandiaran, Luis Seijo   +2 more
exaly  

Determination of a methane intermolecular potential model for use in molecular simulations from ab initio calculations

Journal of Chemical Physics, 1999
Richard L Rowley, Rowley Richard L
exaly  

Ab initio calculations of vacancies in SixGe1−x

Applied Physics Letters, 2002
Gustavo M Dalpian, P Venezuela, Antonio J R da Silva   +2 more
exaly  

A three-dimensional potential energy surface for He+Cl2 (B 3Π0u+): Ab initio calculations and a multiproperty fit

Journal of Chemical Physics, 1999
Andreas Rohrbacher, Kenneth C Janda, M M Szczesniak   +2 more
exaly  

Ab initio calculations of dispersion coefficients for nucleic acid base pairs

Journal of Chemical Physics, 2006
exaly