Works matching IS 17590876 AND DT 2013 AND VI 3 AND IP 2

Results: 8

Electron propagator theory: an approach to prediction and interpretation in quantum chemistry.

Published in:

WIREs: Computational Molecular Science, 2013, v. 3, n. 2, p. 123, doi. 10.1002/wcms.1116

By:

Ortiz, Joseph Vincent

Publication type:

Article

Metalloaromaticity.

Published in:

WIREs: Computational Molecular Science, 2013, v. 3, n. 2, p. 105, doi. 10.1002/wcms.1115

By:

Feixas, Ferran;
Matito, Eduard;
Poater, Jordi;
Solà, Miquel

Publication type:

Article

Predictions of protein-RNA interactions.

Published in:

WIREs: Computational Molecular Science, 2013, v. 3, n. 2, p. 161, doi. 10.1002/wcms.1119

By:

Cirillo, Davide;
Agostini, Federico;
Tartaglia, Gian Gaetano

Publication type:

Article

An overview of the Amber biomolecular simulation package.

Published in:

WIREs: Computational Molecular Science, 2013, v. 3, n. 2, p. 198, doi. 10.1002/wcms.1121

By:

Salomon‐Ferrer, Romelia;
Case, David A.;
Walker, Ross C.

Publication type:

Article

Issue information.

Published in:: WIREs: Computational Molecular Science, 2013, v. 3, n. 2, p. no, doi. 10.1002/wcms.1143
Publication type:: Article

Automated systematic nomenclature generation for organic compounds.

Published in:

WIREs: Computational Molecular Science, 2013, v. 3, n. 2, p. 150, doi. 10.1002/wcms.1118

By:

Williams, Antony John;
Yerin, Andrey

Publication type:

Article

State-specific multireference coupled-cluster theory.

Published in:

WIREs: Computational Molecular Science, 2013, v. 3, n. 2, p. 176, doi. 10.1002/wcms.1120

By:

Köhn, Andreas;
Hanauer, Matthias;
Mück, Leonie Anna;
Jagau, Thomas‐Christian;
Gauss, Jürgen

Publication type:

Article

MOLCAS-a software for multiconfigurational quantum chemistry calculations.

Published in:

WIREs: Computational Molecular Science, 2013, v. 3, n. 2, p. 143, doi. 10.1002/wcms.1117

By:

Aquilante, Francesco;
Pedersen, Thomas Bondo;
Veryazov, Valera;
Lindh, Roland

Publication type:

Article