Results 331 to 340 of about 1,610,034 (354)

Ab Initio Calculations of Absorption Spectra of Large Molecules in Solution: Coumarin C153†

Angewandte Chemie - International Edition, 2007
Vincenzo Barone, Roberto Improta, Fabrizio Santoro   +2 more
exaly  

Ab Initio Calculation of Rate Constants for Molecule–Surface Reactions with Chemical Accuracy

Angewandte Chemie - International Edition, 2016
Joachim Sauer, Maristella Alessio, GiovanniMaria Piccini   +2 more
exaly  

Complementary approaches to the ab initio calculation of melting properties

Journal of Chemical Physics, 2002
Geoffrey David Price, Dario Alfè, M J Gillan   +2 more
exaly  

Ab initio Calculations

2006
openaire   +1 more source

Molecular fragment transfer in ab initio calculations

Computers & Chemistry, 1977
Lee G. Pedersen, G. L. Carison
openaire   +2 more sources

Ab Initio Methods for the Calculation of NMR Shielding and Indirect Spin−Spin Coupling Constants

Chemical Reviews, 1999
Trygve Ulf Helgaker, Kenneth Ruud, Michał Jaszuński   +2 more
exaly  

Ab initio Calculation Tutorial

2023
openaire   +1 more source

Ab initio calculations of Stark broadening parameters

New Astronomy Reviews, 2009
N Ben Nessib
exaly  

Electronic structure and chemical bonding of B5− and B5 by photoelectron spectroscopy and ab initio calculations

Journal of Chemical Physics, 2002
Hua-Jin Zhai, Anastassia N. Alexandrova, Alexander I. Boldyrev   +2 more
exaly  

Ab-initio calculation of kaolinite:

Abstracts of annual meeting of The Clay Science Society of Japan, 2003
SHIRAKI, Koichi, KAWAMURA, Katsuyuki, TAZAKI, Kazue   +2 more
openaire   +1 more source