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WIREs Comput Mol Sci
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Density Functional Theory

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Double‐hybrid density functionals

Advanced Review
Lars Goerigk, Stefan Grimme
Published Online: Jul 25 2014
DOI:10.1002/wcms.1193

Abstract Full article on Wiley Online Library:   HTML | PDF
Electronic structure of conducting organic polymers: insights from time‐dependent density functional theory

Advanced Review
Ulrike Salzner
Published Online: Jul 07 2014
DOI:10.1002/wcms.1194

Abstract Full article on Wiley Online Library:   HTML | PDF
Long‐range correction for density functional theory

Advanced Review
Takao Tsuneda, Kimihiko Hirao
Published Online: Oct 09 2013
DOI:10.1002/wcms.1178

Abstract Full article on Wiley Online Library:   HTML | PDF
Symmetry‐adapted perturbation theory based on density functional theory for noncovalent interactions

Advanced Review
Georg Jansen
Published Online: Aug 22 2013
DOI:10.1002/wcms.1164

Abstract Full article on Wiley Online Library:   HTML | PDF
Theoretical studies of nucleic acids folding

Overview
Mahmut Kara, Martin Zacharias
Published Online: Jul 12 2013
DOI:10.1002/wcms.1146

Abstract Full article on Wiley Online Library:   HTML | PDF
Theoretical models of DNA flexibility

Overview
Tomáš Dršata, Filip Lankaš
Published Online: Feb 14 2013
DOI:10.1002/wcms.1144

Abstract Full article on Wiley Online Library:   HTML | PDF
Coarse‐grained models of protein folding as detailed tools to connect with experiments

Overview
Athi N. Naganathan
Published Online: Nov 29 2012
DOI:10.1002/wcms.1133

Abstract Full article on Wiley Online Library:   HTML | PDF
Recent trends in conformational analysis

Advanced Review
Andrea Mazzanti, Daniele Casarini
Published Online: Nov 21 2011
DOI:10.1002/wcms.96

Abstract Full article on Wiley Online Library:   HTML | PDF
Car–Parrinello molecular dynamics

Advanced Review
Jürg Hutter
Published Online: Sep 15 2011
DOI:10.1002/wcms.90

Abstract Full article on Wiley Online Library:   HTML | PDF
Circular dichroism: electronic

Advanced Review
Ingolf Warnke, Filipp Furche
Published Online: Jul 05 2011
DOI:10.1002/wcms.55

Abstract Full article on Wiley Online Library:   HTML | PDF
Density functional theory with London dispersion corrections

Advanced Review
Stefan Grimme
Published Online: Mar 16 2011
DOI:10.1002/wcms.30

Abstract Full article on Wiley Online Library:   HTML | PDF
Carbocations

Advanced Review
Donald H. Aue
Published Online: Mar 10 2011
DOI:10.1002/wcms.12

Abstract Full article on Wiley Online Library:   HTML | PDF
The Cope rearrangement—the first born of a great family

Advanced Review
Nicole Graulich
Published Online: Jan 21 2011
DOI:10.1002/wcms.17

Abstract Full article on Wiley Online Library:   HTML | PDF
Organocatalysis: Cinchona catalysts

Overview
Tommaso Marcelli
Published Online: Jan 21 2011
DOI:10.1002/wcms.2

Abstract Full article on Wiley Online Library:   HTML | PDF
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