Works matching IS 17590876 AND DT 2014 AND VI 4 AND IP 2

Results: 8

Theory and simulation of atom tunneling in chemical reactions.

Published in:

WIREs: Computational Molecular Science, 2014, v. 4, n. 2, p. 158, doi. 10.1002/wcms.1165

By:

Kästner, Johannes

Publication type:

Article

Symmetry-adapted perturbation theory based on density functional theory for noncovalent interactions.

Published in:

WIREs: Computational Molecular Science, 2014, v. 4, n. 2, p. 127, doi. 10.1002/wcms.1164

By:

Jansen, Georg

Publication type:

Article

Theoretical studies of nucleic acids folding.

Published in:

WIREs: Computational Molecular Science, 2014, v. 4, n. 2, p. 116, doi. 10.1002/wcms.1146

By:

Kara, Mahmut;
Zacharias, Martin

Publication type:

Article

Turbomole.

Published in:

WIREs: Computational Molecular Science, 2014, v. 4, n. 2, p. 91, doi. 10.1002/wcms.1162

By:

Furche, Filipp;
Ahlrichs, Reinhart;
Hättig, Christof;
Klopper, Wim;
Sierka, Marek;
Weigend, Florian

Publication type:

Article

Chem Shell-a modular software package for QM/ MM simulations.

Published in:

WIREs: Computational Molecular Science, 2014, v. 4, n. 2, p. 101, doi. 10.1002/wcms.1163

By:

Metz, Sebastian;
Kästner, Johannes;
Sokol, Alexey A.;
Keal, Thomas W.;
Sherwood, Paul

Publication type:

Article

Issue information.

Published in:: 2014
Publication type:: Other

Compliance constants: are they of any real use?

Published in:

WIREs: Computational Molecular Science, 2014, v. 4, n. 2, p. 111, doi. 10.1002/wcms.1155

By:

Baker, Jon

Publication type:

Article

Semiempirical quantum-chemical methods.

Published in:

WIREs: Computational Molecular Science, 2014, v. 4, n. 2, p. 145, doi. 10.1002/wcms.1161

By:

Thiel, Walter

Publication type:

Article