Results 271 to 280 of about 1,349,139 (282)

Chromophore-specific theoretical spectroscopy: From subsystem density functional theory to mode-specific vibrational spectroscopy

Physics Reports, 2010
Johannes Neugebauer
exaly  

Density Functional Theory Studies of the Electronic Structure of Solid State Actinide Oxides

Chemical Reviews, 2013
Xiao-Dong Wen, Thomas M Henderson, Gustavo E Scuseria   +2 more
exaly  

Time-dependent density-functional description of nuclear dynamics

Reviews of Modern Physics, 2016
Takashi Nakatsukasa, Masayuki Matsuo
exaly  

Density Functional Theory

2010
openaire   +2 more sources

Infrared Spectra and Density Functional Theory Calculations on Transition Metal Nitrosyls. Vibrational Frequencies of Unsaturated Transition Metal Nitrosyls

Chemical Reviews, 2002
Lester S Andrews
exaly  

Thirty years of density functional theory in computational chemistry: an overview and extensive assessment of 200 density functionals

Molecular Physics, 2017
Narbe Mardirossian, Martin Head-Gordon
exaly  

Approximate density functional theory as a practical tool in molecular energetics and dynamics

Chemical Reviews, 1991
exaly  

Density Functional Theory

2008
openaire   +1 more source

Density Functional Theory

Coordination Chemistry Reviews, 1998
openaire   +2 more sources

Density Functional Theory

2015
openaire   +1 more source