Issue Information.
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 10, p. 639, doi. 10.1002/jcc.24548
- Publication type:
- Article
Works matching IS 01928651 AND DT 2017 AND VI 38 AND IP 10
Results: 13
1
2
Time-dependent density functional theory study on direction-dependent electron and hole transfer processes in molecular systems.
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 10, p. 698, doi. 10.1002/jcc.24730
- By:
- Publication type:
- Article
3
Evaluation of atomic pressure in the multiple time-step integration algorithm.
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 10, p. 704, doi. 10.1002/jcc.24731
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- Publication type:
- Article
4
Global exploration of isomers and isomerization channels on the quantum chemical potential energy surface of H<sub>3</sub>CNO<sub>3</sub>.
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 10, p. 669, doi. 10.1002/jcc.24732
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- Publication type:
- Article
5
Update on phosphate and charged post-translationally modified amino acid parameters in the GROMOS force field.
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 10, p. 714, doi. 10.1002/jcc.24733
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- Publication type:
- Article
6
AGGREGATES: Finding structures in simulation results of solutions.
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 10, p. 753, doi. 10.1002/jcc.24735
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- Publication type:
- Article
7
Cover Image, Volume 38, Issue 10.
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 10, p. i, doi. 10.1002/jcc.24773
- Publication type:
- Article
8
Reliable and efficient reaction path and transition state finding for surface reactions with the growing string method.
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 10, p. 645, doi. 10.1002/jcc.24720
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- Publication type:
- Article
9
Reaching multi-nanosecond timescales in combined QM/MM molecular dynamics simulations through parallel horsetail sampling.
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 10, p. 659, doi. 10.1002/jcc.24723
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- Publication type:
- Article
10
Description of non-covalent interactions in SCC-DFTB methods.
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 10, p. 688, doi. 10.1002/jcc.24725
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- Publication type:
- Article
11
Prediction on dielectric strength and boiling point of gaseous molecules for replacement of SF<sub>6</sub>.
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 10, p. 721, doi. 10.1002/jcc.24741
- By:
- Publication type:
- Article
12
Van Der Waals heterogeneous layer-layer carbon nanostructures involving π···H-C-C-H···π···H-C-C-H stacking based on graphene and graphane sheets.
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 10, p. 730, doi. 10.1002/jcc.24743
- By:
- Publication type:
- Article
13
Efficient gaussian density formulation of volume and surface areas of macromolecules on graphical processing units.
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 10, p. 740, doi. 10.1002/jcc.24745
- By:
- Publication type:
- Article