Cover Image, Volume 36, Issue 31.
- Published in:
- 2015
- Publication type:
- Other
Works matching IS 01928651 AND DT 2015 AND VI 36 AND IP 31
Results: 10
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Cover Image, Volume 36, Issue 31.
- Published in:
- 2015
- Publication type:
- Other
3
Analytical gradients for MP2, double hybrid functionals, and TD- DFT with polarizable embedding described by fluctuating charges.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 31, p. 2271, doi. 10.1002/jcc.24195
- By:
- Publication type:
- Article
4
DSPMP: Discriminating secretory proteins of malaria parasite by hybridizing different descriptors of Chou's pseudo amino acid patterns.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 31, p. 2317, doi. 10.1002/jcc.24210
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- Publication type:
- Article
5
Hexahalogenated and their mixed benzene derivatives as prototypes for the understanding of halogen···halogen intramolecular interactions: New insights from combined DFT, QTAIM-, and RDG-based NCI analyses.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 31, p. 2328, doi. 10.1002/jcc.24211
- By:
- Publication type:
- Article
6
DAMQT 2.1.0: A new version of the DAMQT package enabled with the topographical analysis of electron density and electrostatic potential in molecules.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 31, p. 2350, doi. 10.1002/jcc.24212
- By:
- Publication type:
- Article
7
Simulated tempering based on global balance or detailed balance conditions: Suwa- Todo, heat bath, and Metropolis algorithms.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 31, p. 2344, doi. 10.1002/jcc.24213
- By:
- Publication type:
- Article
8
Cover Image, Volume 36, Issue 31.
- Published in:
- 2015
- Publication type:
- Other
9
Low-energy structures of benzene clusters with a novel accurate potential surface.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 31, p. 2291, doi. 10.1002/jcc.24201
- By:
- Publication type:
- Article
10
Ion strength limit of computed excess functions based on the linearized Poisson- Boltzmann equation.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 31, p. 2302, doi. 10.1002/jcc.24209
- By:
- Publication type:
- Article