Cover Image, Volume 35, Issue 9.
- Published in:
- 2014
- Publication type:
- Other
Works matching IS 01928651 AND DT 2014 AND VI 35 AND IP 9
Results: 11
1
2
The reliability of DFT methods to predict electronic structures and minimum energy crossing point for [Fe<sup>IV</sup>O](OH)<sub>2</sub> models: A comparison study with MCQDPT method.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 9, p. 703, doi. 10.1002/jcc.23535
- By:
- Publication type:
- Article
3
Cover Image, Volume 35, Issue 9.
- Published in:
- 2014
- Publication type:
- Other
4
Microsecond simulations of DNA and ion transport in nanopores with novel ion-ion and ion-nucleotides effective potentials.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 9, p. 711, doi. 10.1002/jcc.23544
- By:
- Publication type:
- Article
5
Cover Image, Volume 35, Issue 9.
- Published in:
- 2014
- Publication type:
- Other
6
Integrating open-source software applications to build molecular dynamics systems.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 9, p. 756, doi. 10.1002/jcc.23537
- By:
- Publication type:
- Article
7
Continuous symmetry measures for complex symmetry group.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 9, p. 748, doi. 10.1002/jcc.23548
- By:
- Publication type:
- Article
8
The effect of the intermolecular potential formulation on the state-selected energy exchange rate coefficients in N<sub>2</sub>-N<sub>2</sub> collisions.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 9, p. 722, doi. 10.1002/jcc.23545
- By:
- Publication type:
- Article
9
Implicit and explicit solvent models for modeling a bifunctional arene ruthenium hydrogen-storage catalyst: A classical and ab initio molecular simulation study.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 9, p. 683, doi. 10.1002/jcc.23514
- By:
- Publication type:
- Article
10
Comparative analysis of nucleotide translocation through protein nanopores using steered molecular dynamics and an adaptive biasing force.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 9, p. 692, doi. 10.1002/jcc.23525
- By:
- Publication type:
- Article
11
Accessing the applicability of polarized protein-specific charge in linear interaction energy analysis.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 9, p. 737, doi. 10.1002/jcc.23547
- By:
- Publication type:
- Article