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WIREs Comput Mol Sci
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Electronic Structure Theory

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Multiconfiguration second‐order perturbation theory approach to strong electron correlation in chemistry and photochemistry

Advanced Review
Daniel Roca‐Sanjuán, Francesco Aquilante, Roland Lindh
Published Online: Nov 21 2011
DOI:10.1002/wcms.97

Abstract Full article on Wiley Online Library:   HTML | PDF
Excited state coupled cluster methods

Advanced Review
Kristian Sneskov, Ove Christiansen
Published Online: Nov 21 2011
DOI:10.1002/wcms.99

Abstract Full article on Wiley Online Library:   HTML | PDF
Resummation methods

Advanced Review
David Z. Goodson
Published Online: Nov 08 2011
DOI:10.1002/wcms.92

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
Symmetry‐adapted perturbation theory of intermolecular forces

Overview
Krzysztof Szalewicz
Published Online: Aug 30 2011
DOI:10.1002/wcms.86

Abstract Full article on Wiley Online Library:   HTML | PDF
Coupled‐cluster theory and its equation‐of‐motion extensions

Overview
Rodney J. Bartlett
Published Online: Jul 25 2011
DOI:10.1002/wcms.76

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Wavefunction methods for noncovalent interactions

Advanced Review
Edward G. Hohenstein, C. David Sherrill
Published Online: Jul 15 2011
DOI:10.1002/wcms.84

Abstract Full article on Wiley Online Library:   HTML | PDF
The ONIOM method: its foundation and applications to metalloenzymes and photobiology

Advanced Review
Lung Wa Chung, Hajime Hirao, Xin Li, Keiji Morokuma
Published Online: Jul 13 2011
DOI:10.1002/wcms.85

Abstract Full article on Wiley Online Library:   HTML | PDF
Anharmonic molecular force fields

Advanced Review
Attila G. Császár
Published Online: Jul 12 2011
DOI:10.1002/wcms.75

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Multi‐electron integrals

Advanced Review
Simen Reine, Trygve Helgaker, Roland Lindh
Published Online: Jul 06 2011
DOI:10.1002/wcms.78

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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
G n theory

Advanced Review
Larry A. Curtiss, Paul C. Redfern, Krishnan Raghavachari
Published Online: Jun 20 2011
DOI:10.1002/wcms.59

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Relativistic Douglas–Kroll–Hess theory

Advanced Review
Markus Reiher
Published Online: Jun 14 2011
DOI:10.1002/wcms.67

Abstract Full article on Wiley Online Library:   HTML | PDF
Explicitly correlated electronic structure theory from R12/F12 ansätze

Overview
Seiichiro Ten‐no, Jozef Noga
Published Online: May 26 2011
DOI:10.1002/wcms.68

Abstract Full article on Wiley Online Library:   HTML | PDF
Møller–Plesset perturbation theory: from small molecule methods to methods for thousands of atoms

Advanced Review
Dieter Cremer
Published Online: May 11 2011
DOI:10.1002/wcms.58

Abstract Full article on Wiley Online Library:   HTML | PDF
Reaction path Hamiltonian and the unified reaction valley approach

Advanced Review
Elfi Kraka
Published Online: May 06 2011
DOI:10.1002/wcms.65

Abstract Full article on Wiley Online Library:   HTML | PDF
Geometry optimization

Advanced Review
H. Bernhard Schlegel
Published Online: May 04 2011
DOI:10.1002/wcms.34

Abstract Full article on Wiley Online Library:   HTML | PDF
Vibrational circular dichroism

Advanced Review
Gábor Magyarfalvi, György Tarczay, Elemér Vass
Published Online: Apr 11 2011
DOI:10.1002/wcms.39

Abstract Full article on Wiley Online Library:   HTML | PDF
Quantum Monte Carlo methods

Advanced Review
Arne Lüchow
Published Online: Apr 11 2011
DOI:10.1002/wcms.40

Abstract Full article on Wiley Online Library:   HTML | PDF
Green's function methods for calculating ionization potentials, electron affinities, and excitation energies

Overview
David Danovich
Published Online: Apr 11 2011
DOI:10.1002/wcms.38

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

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Carbocations

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

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Pseudopotentials and modelpotentials

Overview
Xiaoyan Cao, Michael Dolg
Published Online: Feb 18 2011
DOI:10.1002/wcms.28

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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
The empirical valence bond model: theory and applications

Overview
Shina C. L. Kamerlin, Arieh Warshel
Published Online: Jan 21 2011
DOI:10.1002/wcms.10

Abstract Full article on Wiley Online Library:   HTML | PDF
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