Inside Cover, Volume 34, Issue 13.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 13, p. iii, doi. 10.1002/jcc.23302
- Publication type:
- Article
Works matching IS 01928651 AND DT 2013 AND VI 34 AND IP 13
Results: 11
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QMX: A versatile environment for hybrid calculations applied to the grafting of Al<sub>2</sub>Cl<sub>3</sub>Me<sub>3</sub> on a silica surface.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 13, p. 1155, doi. 10.1002/jcc.23225
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- Publication type:
- Article
3
First principles study of gallium cleaning for hydrogen-contaminated α-Al<sub>2</sub>O<sub>3</sub>(0001) surfaces.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 13, p. 1101, doi. 10.1002/jcc.23236
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- Publication type:
- Article
4
Cover Image, Volume 34, Issue 13.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 13, p. i, doi. 10.1002/jcc.23301
- Publication type:
- Article
5
Could an anisotropic molecular mechanics/dynamics potential account for sigma hole effects in the complexes of halogenated compounds?
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 13, p. 1125, doi. 10.1002/jcc.23242
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- Publication type:
- Article
6
Parameterization of a reactive force field using a monte carlo algorithm.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 13, p. 1143, doi. 10.1002/jcc.23246
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- Publication type:
- Article
7
Theoretical study of ionization and one-electron oxidation potentials of N-heterocyclic compounds.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 13, p. 1094, doi. 10.1002/jcc.23228
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- Article
8
PHI: A powerful new program for the analysis of anisotropic monomeric and exchange-coupled polynuclear d- and f-block complexes.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 13, p. 1164, doi. 10.1002/jcc.23234
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- Publication type:
- Article
9
Monte carlo configuration interaction applied to multipole moments, ionisation energies and electron affinities.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 13, p. 1083, doi. 10.1002/jcc.23211
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- Publication type:
- Article
10
Molecular dynamics study of DNA binding by INT-DBD under a polarized force field.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 13, p. 1136, doi. 10.1002/jcc.23244
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- Publication type:
- Article
11
A multiscale coarse-grained polarizable solvent model for handling long tail bulk electrostatics.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 13, p. 1112, doi. 10.1002/jcc.23237
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- Publication type:
- Article