Oxygen adsorption characteristics on hybrid carbon and boron-nitride nanotubes.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 14, p. 1058, doi. 10.1002/jcc.23589
- By:
- Publication type:
- Article
Works matching IS 01928651 AND DT 2014 AND VI 35 AND IP 14
Results: 9
1
2
Inside Cover, Volume 35, Issue 14.
- Published in:
- 2014
- Publication type:
- Other
3
Midpoint cell method for hybrid (MPI+OpenMP) parallelization of molecular dynamics simulations.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 14, p. 1064, doi. 10.1002/jcc.23591
- By:
- Publication type:
- Article
4
ALMOST: An all atom molecular simulation toolkit for protein structure determination.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 14, p. 1101, doi. 10.1002/jcc.23588
- By:
- Publication type:
- Article
5
Reactivity index based on orbital energies.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 14, p. 1093, doi. 10.1002/jcc.23599
- By:
- Publication type:
- Article
6
Cover Image, Volume 35, Issue 14.
- Published in:
- 2014
- Publication type:
- Other
7
Quantitative investigation of bonding characteristics in ternary Zintl anions: Charge and energy analysis of [Sn<sub>2</sub>E<sup>15</sup><sub>2</sub>(ZnPh)]<sup>−</sup> (E<sup>15</sup> = Sb, Bi) and [Sn<sub>2</sub>Sb<sub>5</sub>(ZnPh)<sub>2</sub>]<sup>3−</sup>
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 14, p. 1045, doi. 10.1002/jcc.23560
- By:
- Publication type:
- Article
8
A new perspective of shape recognition to discover the phase transition of finite-size clusters.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 14, p. 1082, doi. 10.1002/jcc.23593
- By:
- Publication type:
- Article
9
Assessment of the orbital-optimized coupled-electron pair theory for thermochemistry and kinetics: Improving on CCSD and CEPA(1).
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 14, p. 1073, doi. 10.1002/jcc.23592
- By:
- Publication type:
- Article