Parameterization of a geometric flow implicit solvation model.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 8, p. 687, doi. 10.1002/jcc.23181
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- Publication type:
- Article
Works matching IS 01928651 AND DT 2013 AND VI 34 AND IP 8
Results: 12
1
2
Free energy simulation of helical transitions.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 8, p. 640, doi. 10.1002/jcc.23174
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- Article
3
Inside Cover, Volume 34, Issue 8.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 8, p. iii, doi. 10.1002/jcc.23259
- Publication type:
- Article
4
Coulomb replica-exchange method: Handling electrostatic attractive and repulsive forces for biomolecules.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 8, p. 622, doi. 10.1002/jcc.23167
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- Publication type:
- Article
5
An efficient method for computing the QTAIM topology of a scalar field: The electron density case.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 8, p. 681, doi. 10.1002/jcc.23180
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- Publication type:
- Article
6
Cover Image, Volume 34, Issue 8.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 8, p. i, doi. 10.1002/jcc.23258
- Publication type:
- Article
7
PICVib: An accurate, fast, and simple procedure to investigate selected vibrational modes at high theoretical levels.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 8, p. 611, doi. 10.1002/jcc.23166
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- Publication type:
- Article
8
Hardness potential derivatives and their relation to fukui indices.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 8, p. 662, doi. 10.1002/jcc.23177
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- Publication type:
- Article
9
Cationic Closo-carboranes 2. Do computed <sup>11</sup>B and <sup>13</sup>C NMR chemical shifts support their experimental availability?
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 8, p. 656, doi. 10.1002/jcc.23176
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- Publication type:
- Article
10
Complexes of 4-substituted phenolates with HF and HCN: Energy decomposition and electronic structure analyses of hydrogen bonding.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 8, p. 696, doi. 10.1002/jcc.23182
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- Publication type:
- Article
11
Theoretical study on the mechanism and kinetics of addition of hydroxyl radicals to fluorobenzene.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 8, p. 646, doi. 10.1002/jcc.23175
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- Publication type:
- Article
12
Ab initio calculations of the Ar-ethane intermolecular potential energy surface using bond function basis sets.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 8, p. 673, doi. 10.1002/jcc.23179
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- Publication type:
- Article