Ab Initio spectroscopic characterization of borane, BH, in its.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 30, p. 2219, doi. 10.1002/jcc.24200
- By:
- Publication type:
- Article
Works matching IS 01928651 AND DT 2015 AND VI 36 AND IP 30
Results: 9
1
2
Erratum to Csonka, G. I., Nguyen, N. A., & Kolossváry, I. (1997). Simple tests for density functional methods. Journal of Computational Chemistry, 18(12), 1534-1545. (DOI:.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 30, p. 2270, doi. 10.1002/jcc.24202
- Publication type:
- Article
3
Thiol versus hydroxamate as zinc binding group in HDAC inhibition: An Ab initio QM/ MM molecular dynamics study.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 30, p. 2228, doi. 10.1002/jcc.24203
- By:
- Publication type:
- Article
4
Multiparticle moves in acceptance rate optimized monte carlo.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 30, p. 2236, doi. 10.1002/jcc.24205
- By:
- Publication type:
- Article
5
A new extension of the polarizable continuum model: Toward a quantum chemical description of chemical reactions at extreme high pressure.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 30, p. 2246, doi. 10.1002/jcc.24206
- By:
- Publication type:
- Article
6
Water solvent effects using continuum and discrete models: The nitromethane molecule, CH<sub>3</sub>NO<sub>2</sub>.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 30, p. 2260, doi. 10.1002/jcc.24208
- By:
- Publication type:
- Article
7
Assessment and acceleration of binding energy calculations for protein-ligand complexes by the fragment molecular orbital method.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 30, p. 2209, doi. 10.1002/jcc.24055
- By:
- Publication type:
- Article
8
Cover Image, Volume 36, Issue 30.
- Published in:
- 2015
- Publication type:
- Other
9
Cover Image, Volume 36, Issue 30.
- Published in:
- 2015
- Publication type:
- Other