Table of Contents, Volume 37, Issue 3.
- Published in:
- 2016
- Publication type:
- Other
Works matching IS 01928651 AND DT 2016 AND VI 37 AND IP 3
Results: 13
1
2
Editorial Board, Volume 37, Issue 3.
- Published in:
- 2016
- Publication type:
- Other
3
Copyright, Volume 37, Issue 3.
- Published in:
- 2016
- Publication type:
- Other
4
DOX: A new computational protocol for accurate prediction of the protein-ligand binding structures.
- Published in:
- Journal of Computational Chemistry, 2016, v. 37, n. 3, p. 336, doi. 10.1002/jcc.24217
- By:
- Publication type:
- Article
5
Cover Image, Volume 37, Issue 3.
- Published in:
- 2016
- Publication type:
- Other
6
Cover Image, Volume 37, Issue 3.
- Published in:
- 2016
- Publication type:
- Other
7
Assessment of the extended Koopmans' theorem for the chemical reactivity: Accurate computations of chemical potentials, chemical hardnesses, and electrophilicity indices.
- Published in:
- Journal of Computational Chemistry, 2016, v. 37, n. 3, p. 345, doi. 10.1002/jcc.24225
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- Publication type:
- Article
8
Revision of the GROMOS 56A6<sub>CARBO</sub> force field: Improving the description of ring-conformational equilibria in hexopyranose-based carbohydrates chains.
- Published in:
- Journal of Computational Chemistry, 2016, v. 37, n. 3, p. 354, doi. 10.1002/jcc.24229
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- Publication type:
- Article
9
Buckybowls as adsorbents for CO<sub>2</sub>, CH<sub>4</sub>, and C<sub>2</sub>H<sub>2</sub>: Binding and structural insights from computational study.
- Published in:
- Journal of Computational Chemistry, 2016, v. 37, n. 3, p. 366, doi. 10.1002/jcc.24242
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- Publication type:
- Article
10
Coming Soon, Volume 37, Issue 3.
- Published in:
- 2016
- Publication type:
- Other
11
Accelerating electrostatic interaction calculations with graphical processing units based on new developments of ewald method using non-uniform fast fourier transform.
- Published in:
- Journal of Computational Chemistry, 2016, v. 37, n. 3, p. 378, doi. 10.1002/jcc.24250
- By:
- Publication type:
- Article
12
Self-consistent field for fragmented quantum mechanical model of large molecular systems.
- Published in:
- Journal of Computational Chemistry, 2016, v. 37, n. 3, p. 321, doi. 10.1002/jcc.24252
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- Publication type:
- Article
13
Glucose transformation to 5-hydroxymethylfurfural in acidic ionic liquid: A quantum mechanical study.
- Published in:
- Journal of Computational Chemistry, 2016, v. 37, n. 3, p. 327, doi. 10.1002/jcc.24214
- By:
- Publication type:
- Article