Cover Image, Volume 35, Issue 3.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 3, p. iii, doi. 10.1002/jcc.23521
- Publication type:
- Article
Works matching IS 01928651 AND DT 2014 AND VI 35 AND IP 3
Results: 10
1
2
Adsorption of multivalent alkylthiols on Au(111) surface: Insights from DFT.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 3, p. 204, doi. 10.1002/jcc.23484
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- Publication type:
- Article
3
Atomistic kinetic Monte Carlo study of atomic layer deposition derived from density functional theory.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 3, p. 244, doi. 10.1002/jcc.23491
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- Publication type:
- Article
4
An efficient and extensible format, library, and API for binary trajectory data from molecular simulations.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 3, p. 260, doi. 10.1002/jcc.23495
- By:
- Publication type:
- Article
5
Accurate density functional theory description of binding constants and NMR chemical shifts of weakly interacting complexes of C<sub>60</sub> with corannulene-based molecular bowls.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 3, p. 181, doi. 10.1002/jcc.23455
- By:
- Publication type:
- Article
6
Cover Image, Volume 35, Issue 3.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 3, p. i, doi. 10.1002/jcc.23520
- Publication type:
- Article
7
Net charge changes in the calculation of relative ligand-binding free energies via classical atomistic molecular dynamics simulation.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 3, p. 227, doi. 10.1002/jcc.23490
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- Publication type:
- Article
8
Assessing protein-ligand docking for the binding of organometallic compounds to proteins.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 3, p. 192, doi. 10.1002/jcc.23472
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- Publication type:
- Article
9
Basis sets for the evaluation of van der Waals complex interaction energies: Ne-N<sub>2</sub> intermolecular potential and microwave spectrum.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 3, p. 199, doi. 10.1002/jcc.23483
- By:
- Publication type:
- Article
10
Quantitative structure-property relationship modeling of Grätzel solar cell dyes.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 3, p. 214, doi. 10.1002/jcc.23485
- By:
- Publication type:
- Article