Elongation method for electronic structure calculations of random DNA sequences.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 28, p. 2103, doi. 10.1002/jcc.24047
- By:
- Publication type:
- Article
Works matching IS 01928651 AND DT 2015 AND VI 36 AND IP 28
Results: 8
1
2
Binding affinities by alchemical perturbation using QM/MM with a large QM system and polarizable MM model.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 28, p. 2114, doi. 10.1002/jcc.24048
- By:
- Publication type:
- Article
3
Solid-state reaction as a mechanism of 1 T ↔ 2 H transformation in Mo S<sub>2</sub> monolayers.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 28, p. 2131, doi. 10.1002/jcc.24188
- By:
- Publication type:
- Article
4
Strain in nonclassical silicon hydrides: An insight into the 'ultrastability' of sila-bi[6]prismane (Si<sub>18</sub>H<sub>12</sub>) cluster with the endohedrally trapped silicon atom, Si<sub>19</sub>H<sub>12</sub>.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 28, p. 2095, doi. 10.1002/jcc.24014
- By:
- Publication type:
- Article
5
Cover Image, Volume 36, Issue 28.
- Published in:
- 2015
- Publication type:
- Other
6
New density functional parameterizations to accurate calculations of electric field gradient variations among compounds.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 28, p. 2125, doi. 10.1002/jcc.24052
- By:
- Publication type:
- Article
7
Effects of the ionization in the tautomerism of uracil: A reaction electronic flux perspective.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 28, p. 2135, doi. 10.1002/jcc.24054
- By:
- Publication type:
- Article
8
A deeper insight into strain for the sila-bi[6]prismane (.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 28, p. 2089, doi. 10.1002/jcc.24009
- By:
- Publication type:
- Article