Results 281 to 290 of about 205,731 (294)

Ab initio calculations of Stark broadening parameters

New Astronomy Reviews, 2009
Nabil Ben Nessib
exaly  

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

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

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

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

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set

Computational Materials Science, 1996
Georg Kresse
exaly  

Quantum Calculations of Vibrational Energies of H3O2-on an ab Initio Potential

Journal of the American Chemical Society, 2004
Xinchuan Huang, Bastiaan J. Braams
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  

Structures and stability of medium silicon clusters. II. Ab initio molecular orbital calculations of Si12–Si20

Journal of Chemical Physics, 2004
Xiao Cheng Zeng
exaly  

Crystal structure prediction usingab initioevolutionary techniques: Principles and applications

Journal of Chemical Physics, 2006
Artem Oganov, Colin W Glass
exaly  

Structures and stabilities of small silicon clusters: Ab initio molecular-orbital calculations of Si7–Si11

Journal of Chemical Physics, 2003
Xiao Cheng Zeng
exaly  

Ab initio calculations of vibrational spectra and their use in the identification of unusual molecules

Chemical Reviews, 1986
exaly