Cover Image, Volume 35, Issue 21.
- Published in:
- 2014
- Publication type:
- Other
Works matching IS 01928651 AND DT 2014 AND VI 35 AND IP 21
Results: 9
1
2
Molecular dynamics with helical periodic boundary conditions.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 21, p. 1552, doi. 10.1002/jcc.23653
- By:
- Publication type:
- Article
3
On the mechanism of intramolecular nitrogen-atom hopping in the carbon chain of C<sub>6</sub>N radical: A Plausible 3c−4e crossover.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 21, p. 1568, doi. 10.1002/jcc.23657
- By:
- Publication type:
- Article
4
Cover Image, Volume 35, Issue 21.
- Published in:
- 2014
- Publication type:
- Other
5
Drug release by pH-responsive molecular tweezers: Atomistic details from molecular modeling.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 21, p. 1545, doi. 10.1002/jcc.23652
- By:
- Publication type:
- Article
6
The MC-DFT approach including the SCS-MP2 energies to the new minnesota-type functionals.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 21, p. 1560, doi. 10.1002/jcc.23656
- By:
- Publication type:
- Article
7
Ermod: Fast and versatile computation software for solvation free energy with approximate theory of solutions.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 21, p. 1592, doi. 10.1002/jcc.23651
- By:
- Publication type:
- Article
8
Interaction between ions and substituted buckybowls: A comprehensive computational study.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 21, p. 1533, doi. 10.1002/jcc.23644
- By:
- Publication type:
- Article
9
A supervised fitting approach to force field parametrization with application to the SIBFA polarizable force field.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 21, p. 1577, doi. 10.1002/jcc.23661
- By:
- Publication type:
- Article