Works matching IS 17590876 AND DT 2011 AND VI 1 AND IP 3

Results: 10

Green's function methods for calculating ionization potentials, electron affinities, and excitation energies.

Published in:

WIREs: Computational Molecular Science, 2011, v. 1, n. 3, p. 377, doi. 10.1002/wcms.38

By:

Danovich, David

Publication type:

Article

Quantum Monte Carlo methods.

Published in:

WIREs: Computational Molecular Science, 2011, v. 1, n. 3, p. 388, doi. 10.1002/wcms.40

By:

Lüchow, Arne

Publication type:

Article

Cooperative dynamics of proteins unraveled by network models.

Published in:

WIREs: Computational Molecular Science, 2011, v. 1, n. 3, p. 426, doi. 10.1002/wcms.44

By:

Eyal, Eran;
Dutta, Anindita;
Bahar, Ivet

Publication type:

Article

Excited-state dynamics.

Published in:

WIREs: Computational Molecular Science, 2011, v. 1, n. 3, p. 460, doi. 10.1002/wcms.26

By:

Lasorne, Benjamin;
Worth, Graham A.;
Robb, Michael A.

Publication type:

Article

Fullerenes: formation, stability, and reactivity.

Published in:

WIREs: Computational Molecular Science, 2011, v. 1, n. 3, p. 350, doi. 10.1002/wcms.21

By:

Rodríguez-Fortea, Antonio;
Irle, Stephan;
Poblet, Josep M.

Publication type:

Article

Cation-π and anion-π interactions.

Published in:

WIREs: Computational Molecular Science, 2011, v. 1, n. 3, p. 440, doi. 10.1002/wcms.14

By:

Frontera, Antonio;
Quiñonero, David;
Deyà, Pere M.

Publication type:

Article

Correlation diagram approach as a tool for interpreting chemistry: an introductory overview.

Published in:

WIREs: Computational Molecular Science, 2011, v. 1, n. 3, p. 337, doi. 10.1002/wcms.20

By:

Hirao, Hajime

Publication type:

Article

The quantum chemical cluster approach for modeling enzyme reactions.

Published in:

WIREs: Computational Molecular Science, 2011, v. 1, n. 3, p. 323, doi. 10.1002/wcms.13

By:

Siegbahn, Per E.M.;
Himo, Fahmi

Publication type:

Article

The Cambridge Structural Database: experimental three-dimensional information on small molecules is a vital resource for interdisciplinary research and learning.

Published in:

WIREs: Computational Molecular Science, 2011, v. 1, n. 3, p. 368, doi. 10.1002/wcms.35

By:

Groom, Colin R.;
Allen, Frank H.

Publication type:

Article

Vibrational circular dichroism.

Published in:

WIREs: Computational Molecular Science, 2011, v. 1, n. 3, p. 403, doi. 10.1002/wcms.39

By:

Magyarfalvi, Gábor;
Tarczay, György;
Vass, Elemér

Publication type:

Article