TiS<sub>2</sub> and ZrS<sub>2</sub> single- and double-wall nanotubes: First-principles study.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 5, p. 395, doi. 10.1002/jcc.23508
- By:
- Publication type:
- Article
Works matching IS 01928651 AND DT 2014 AND VI 35 AND IP 5
Results: 10
1
2
Development and use of an atomistic CHARMM-based forcefield for peptoid simulation.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 5, p. 360, doi. 10.1002/jcc.23478
- By:
- Publication type:
- Article
3
Origin of the 'endo rule' in Diels-Alder reactions.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 5, p. 371, doi. 10.1002/jcc.23500
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- Publication type:
- Article
4
Comparing distance metrics for rotation using the k-nearest neighbors algorithm for entropy estimation.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 5, p. 377, doi. 10.1002/jcc.23504
- By:
- Publication type:
- Article
5
Halogen bonds with benzene: An assessment of DFT functionals.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 5, p. 386, doi. 10.1002/jcc.23507
- By:
- Publication type:
- Article
6
Cover Image, Volume 35, Issue 5.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 5, p. i, doi. 10.1002/jcc.23529
- Publication type:
- Article
7
Cover Image, Volume 35, Issue 5.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 5, p. v, doi. 10.1002/jcc.23531
- Publication type:
- Article
8
Multipolar electrostatics for proteins: Atom-atom electrostatic energies in crambin.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 5, p. 343, doi. 10.1002/jcc.23469
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- Publication type:
- Article
9
Cover Image, Volume 35, Issue 5.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 5, p. iii, doi. 10.1002/jcc.23530
- Publication type:
- Article
10
New faster CHARMM molecular dynamics engine.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 5, p. 406, doi. 10.1002/jcc.23501
- By:
- Publication type:
- Article