Works matching IS 01928651 AND DT 2013 AND VI 34 AND IP 1

Results: 20

FIPSDock: A New Molecular Docking Technique Driven by Fully Informed Swarm Optimization Algorithm.

Published in:

Journal of Computational Chemistry, 2013, v. 34, n. 1, p. 67, doi. 10.1002/JCC.23108

By:

Yu Liu;
Zhao, Lei;
Li, Wentao;
Zhao, Dongyu;
Song, Miao;
Yang, Yongliang

Publication type:

Article

The Role of Water in the Adsorption of Oxygenated Aromatics on Pt and Pd.

Published in:

Journal of Computational Chemistry, 2013, v. 34, n. 1, p. 60, doi. 10.1002/JCC.23107

By:

Jin Yang;
Dauenhauer, Paul J.;
Ramasubramaniam, Ashwin

Publication type:

Article

Pseudopotentials for Hybridized Carbon Atoms.

Published in:

Journal of Computational Chemistry, 2013, v. 34, n. 1, p. 49, doi. 10.1002/JCC.23104

By:

Drujonta, J.;
Carissan, Y.

Publication type:

Article

An Efficient Algorithm for Complete Active Space Valence Bond Self-Consistent Field Calculation.

Published in:

Journal of Computational Chemistry, 2013, v. 34, n. 1, p. 38, doi. 10.1002/JCC.23103

By:

Jinshuai Song;
Chen, Zhenhua;
Shaik, Sason;
Wei Wu

Publication type:

Article

Configuration Space Partitioning and Matrix Buildup Scaling for the Vibrational Configuration Interaction Method.

Published in:

Journal of Computational Chemistry, 2013, v. 34, n. 1, p. 27, doi. 10.1002/JCC.23101

By:

Samsonyuk, Andriy;
Scheurer, Christoph

Publication type:

Article

Consistent Scheme for Computing Standard Hydrogen Electrode and Redox Potentials.

Published in:

Journal of Computational Chemistry, 2013, v. 34, n. 1, p. 21, doi. 10.1002/jcc.23100

By:

Matsui, Toru;
Kitagawa, Yasutaka;
Okumura, Mitsutaka;
Shigeta, Yasuteru;
Sakaki, Shigeyoshi

Publication type:

Article

Distance Dependency and Minimum Amino Acid Alphabets for Decoy Scoring Potentials.

Published in:

Journal of Computational Chemistry, 2013, v. 34, n. 1, p. 10, doi. 10.1002/JCC.23099

By:

Pape, Susanne;
Hoffgaard, Franziska;
Dür, Mirjam;
Hamacher, Kay

Publication type:

Article

Continuous Symmetry Analyses: Cnv and Dn Measures of Molecules, Complexes, and Proteins.

Published in:

Journal of Computational Chemistry, 2013, v. 34, n. 1, p. 2, doi. 10.1002/jcc.23092

By:

Pinsky, Mark;
Zait, Amir;
Bonjack, Maayan;
Avnir, David

Publication type:

Article

New Paint and a New Engine.

Published in:

Journal of Computational Chemistry, 2013, v. 34, n. 1, p. 1, doi. 10.1002/JCC.23187

By:

Brooks III, Charles L.;
Ehara, Masahiro;
Frenking, Gemot;
Schreiner, Peter R.

Publication type:

Article

Configuration space partitioning and matrix buildup scaling for the vibrational configuration interaction method.

Published in:

Journal of Computational Chemistry, 2013, v. 34, n. 1, p. 27, doi. 10.1002/jcc.23101

By:

Samsonyuk, Andriy;
Scheurer, Christoph

Publication type:

Article

Inside Cover, Volume 34, Issue 1.

Published in:: Journal of Computational Chemistry, 2013, v. 34, n. 1, p. iii, doi. 10.1002/jcc.23196
Publication type:: Article

Consistent scheme for computing standard hydrogen electrode and redox potentials.

Published in:

Journal of Computational Chemistry, 2013, v. 34, n. 1, p. 21, doi. 10.1002/jcc.23100

By:

Matsui, Toru;
Kitagawa, Yasutaka;
Okumura, Mitsutaka;
Shigeta, Yasuteru;
Sakaki, Shigeyoshi

Publication type:

Article

Pseudopotentials for hybridized carbon atoms.

Published in:

Journal of Computational Chemistry, 2013, v. 34, n. 1, p. 49, doi. 10.1002/jcc.23104

By:

Drujon, J.;
Carissan, Y.

Publication type:

Article

Cover Image, Volume 34, Issue 1.

Published in:: Journal of Computational Chemistry, 2013, v. 34, n. 1, p. i, doi. 10.1002/jcc.23195
Publication type:: Article

Continuous symmetry analyses: C nv and D n measures of molecules, complexes, and proteins.

Published in:

Journal of Computational Chemistry, 2013, v. 34, n. 1, p. 2, doi. 10.1002/jcc.23092

By:

Pinsky, Mark;
Zait, Amir;
Bonjack, Maayan;
Avnir, David

Publication type:

Article

FIPSDock: A new molecular docking technique driven by fully informed swarm optimization algorithm.

Published in:

Journal of Computational Chemistry, 2013, v. 34, n. 1, p. 67, doi. 10.1002/jcc.23108

By:

Liu, Yu;
Zhao, Lei;
Li, Wentao;
Zhao, Dongyu;
Song, Miao;
Yang, Yongliang

Publication type:

Article

An efficient algorithm for complete active space valence bond self-consistent field calculation.

Published in:

Journal of Computational Chemistry, 2013, v. 34, n. 1, p. 38, doi. 10.1002/jcc.23103

By:

Song, Jinshuai;
Chen, Zhenhua;
Shaik, Sason;
Wu, Wei

Publication type:

Article

The role of water in the adsorption of oxygenated aromatics on Pt and Pd.

Published in:

Journal of Computational Chemistry, 2013, v. 34, n. 1, p. 60, doi. 10.1002/jcc.23107

By:

Yang, Jin;
Dauenhauer, Paul J.;
Ramasubramaniam, Ashwin

Publication type:

Article

New paint and a new engine.

Published in:

Journal of Computational Chemistry, 2013, v. 34, n. 1, p. 1, doi. 10.1002/jcc.23187

By:

Brooks, Charles L.;
Ehara, Masahiro;
Frenking, Gernot;
Schreiner, Peter R.

Publication type:

Article

Distance dependency and minimum amino acid alphabets for decoy scoring potentials.

Published in:

Journal of Computational Chemistry, 2013, v. 34, n. 1, p. 10, doi. 10.1002/jcc.23099

By:

Pape, Susanne;
Hoffgaard, Franziska;
Dür, Mirjam;
Hamacher, Kay

Publication type:

Article

Works matching IS 01928651 AND DT 2013 AND VI 34 AND IP 1

FIPSDock: A New Molecular Docking Technique Driven by Fully Informed Swarm Optimization Algorithm.

The Role of Water in the Adsorption of Oxygenated Aromatics on Pt and Pd.

Pseudopotentials for Hybridized Carbon Atoms.

An Efficient Algorithm for Complete Active Space Valence Bond Self-Consistent Field Calculation.

Configuration Space Partitioning and Matrix Buildup Scaling for the Vibrational Configuration Interaction Method.

Consistent Scheme for Computing Standard Hydrogen Electrode and Redox Potentials.

Distance Dependency and Minimum Amino Acid Alphabets for Decoy Scoring Potentials.

Continuous Symmetry Analyses: C<sub>nv</sub> and D<sub>n</sub> Measures of Molecules, Complexes, and Proteins.

New Paint and a New Engine.

Configuration space partitioning and matrix buildup scaling for the vibrational configuration interaction method.

Inside Cover, Volume 34, Issue 1.

Consistent scheme for computing standard hydrogen electrode and redox potentials.

Pseudopotentials for hybridized carbon atoms.

Cover Image, Volume 34, Issue 1.

Continuous symmetry analyses: C<sub> nv</sub> and D<sub> n</sub> measures of molecules, complexes, and proteins.

FIPSDock: A new molecular docking technique driven by fully informed swarm optimization algorithm.

An efficient algorithm for complete active space valence bond self-consistent field calculation.

The role of water in the adsorption of oxygenated aromatics on Pt and Pd.

New paint and a new engine.

Distance dependency and minimum amino acid alphabets for decoy scoring potentials.