Works matching IS 01928651 AND DT 2012 AND VI 33 AND IP 25

Results: 9

On the importance of excited state dynamic response electron correlation in polarizable embedding methods.

Published in:

Journal of Computational Chemistry, 2012, v. 33, n. 25, p. 2012, doi. 10.1002/jcc.23032

By:

Eriksen, Janus J.;
Sauer, Stephan P. A.;
Mikkelsen, Kurt V.;
Jensen, Hans J. Aa.;
Kongsted, Jacob

Publication type:

Article

A hierarchical algorithm for fast debye summation with applications to small angle scattering.

Published in:

Journal of Computational Chemistry, 2012, v. 33, n. 25, p. 1981, doi. 10.1002/jcc.23025

By:

Gumerov, Nail A.;
Berlin, Konstantin;
Fushman, David;
Duraiswami, Ramani

Publication type:

Article

Inside Cover, Volume 33, Issue 25.

Published in:: Journal of Computational Chemistry, 2012, v. 33, n. 25, p. iii, doi. 10.1002/jcc.23098
Publication type:: Article

Dendrimer building toolkit: Model building and characterization of various dendrimer architectures.

Published in:

Journal of Computational Chemistry, 2012, v. 33, n. 25, p. 1997, doi. 10.1002/jcc.23031

By:

Maingi, Vishal;
Jain, Vaibhav;
Bharatam, Prasad V.;
Maiti, Prabal K.

Publication type:

Article

nMoldyn 3: Using task farming for a parallel spectroscopy-oriented analysis of molecular dynamics simulations.

Published in:

Journal of Computational Chemistry, 2012, v. 33, n. 25, p. 2043, doi. 10.1002/jcc.23035

By:

Hinsen, Konrad;
Pellegrini, Eric;
Stachura, Sławomir;
Kneller, Gerald R.

Publication type:

Article

Cover Image, Volume 33, Issue 25.

Published in:: Journal of Computational Chemistry, 2012, v. 33, n. 25, p. i, doi. 10.1002/jcc.23097
Publication type:: Article

Force field development for cofactors in the photosystem II.

Published in:

Journal of Computational Chemistry, 2012, v. 33, n. 25, p. 1969, doi. 10.1002/jcc.23016

By:

Zhang, Lu;
Silva, Daniel-Adriano;
Yan, YiJing;
Huang, Xuhui

Publication type:

Article

Prediction of hydrocarbon enthalpies of formation by various thermochemical schemes.

Published in:

Journal of Computational Chemistry, 2012, v. 33, n. 25, p. 2032, doi. 10.1002/jcc.23038

By:

Wilson, Brent R.;
DeYonker, Nathan J.;
Wilson, Angela K.

Publication type:

Article

Implementation of empirical dispersion corrections to density functional theory for periodic systems.

Published in:

Journal of Computational Chemistry, 2012, v. 33, n. 25, p. 2023, doi. 10.1002/jcc.23037

By:

Reckien, Werner;
Janetzko, Florian;
Peintinger, Michael F.;
Bredow, Thomas

Publication type:

Article