Results 271 to 280 of about 205,731 (294)

Ab Initio Calculations

1980
Petr Čársky, Miroslav Urban
openaire   +1 more source

Ab Initio molecular orbital calculations

Theoretica Chimica Acta, 1971
Michael H. Palmer, Antony J. Gaskell
openaire   +1 more source

Ab initio calculations of mechanical properties: Methods and applications

Progress in Materials Science, 2015
Jaroslav Pokluda, Miroslav Cerny
exaly  

Origins of Structure and Energetics of van der Waals Clusters from ab Initio Calculations

Chemical Reviews, 1994
Grzegorz Chalasinski
exaly  

Structure, Energetics, and Dynamics of the Nucleic Acid Base Pairs:  Nonempirical Ab Initio Calculations

Chemical Reviews, 1999
Pavel Hobza, Jiřı́ Šponer
exaly  

Ab initio Calculations

2006
openaire   +1 more source

Structure and Properties of Benzene-Containing Molecular Clusters: Nonempirical ab Initio Calculations and Experiments

Chemical Reviews, 1994
Pavel Hobza
exaly  

Ab Initio Calculations

2016
openaire   +1 more source

Weak interactions between small systems. Models for studying the nature of intermolecular forces and challenging problems for ab initio calculations

Chemical Reviews, 1988
Grzegorz Chalasinski, Maciej Gutowski
exaly  

NMR chemical shift data and ab initio shielding calculations: emerging tools for protein structure determination

Chemical Society Reviews, 2010
Frans A A Mulder, Michael Filatov
exaly