Monosilicon-substituted cyanoacetylene: A computational study.
- Published in:
- Journal of Computational Chemistry, 2006, v. 27, n. 5, p. 578, doi. 10.1002/jcc.20365
- By:
- Publication type:
- Article
Works matching IS 01928651 AND DT 2006 AND VI 27 AND IP 5
Results: 12
1
2
Are calculated enthalpies of formation sometimes more reliable than experimental? A test on alkyl substituted benzoic acids.
- Published in:
- Journal of Computational Chemistry, 2006, v. 27, n. 5, p. 571, doi. 10.1002/jcc.20368
- By:
- Publication type:
- Article
3
Singular value decomposition of torsional angles of analogs of the dopamine reuptake inhibitor GBR 12909.
- Published in:
- Journal of Computational Chemistry, 2006, v. 27, n. 5, p. 609, doi. 10.1002/jcc.20371
- By:
- Publication type:
- Article
4
A comparative theoretical study of dipeptide solvation in water.
- Published in:
- Journal of Computational Chemistry, 2006, v. 27, n. 5, p. 672, doi. 10.1002/jcc.20360
- By:
- Publication type:
- Article
5
Modified calculations of hydrocarbon thermodynamic properties.
- Published in:
- Journal of Computational Chemistry, 2006, v. 27, n. 5, p. 537, doi. 10.1002/jcc.20353
- By:
- Publication type:
- Article
6
Computation of hydration free energies of organic solutes with an implicit water model.
- Published in:
- Journal of Computational Chemistry, 2006, v. 27, n. 5, p. 552, doi. 10.1002/jcc.20332
- By:
- Publication type:
- Article
7
Ylidic radical–molecule reactions.
- Published in:
- Journal of Computational Chemistry, 2006, v. 27, n. 5, p. 545, doi. 10.1002/jcc.20362
- By:
- Publication type:
- Article
8
An orbital localization criterion based on the theory of “fuzzy” atoms.
- Published in:
- Journal of Computational Chemistry, 2006, v. 27, n. 5, p. 596, doi. 10.1002/jcc.20373
- By:
- Publication type:
- Article
9
A consensus procedure improving solvent accessibility prediction.
- Published in:
- Journal of Computational Chemistry, 2006, v. 27, n. 5, p. 621, doi. 10.1002/jcc.20370
- By:
- Publication type:
- Article
10
Theoretical mechanistic study on the radical-molecule reaction of CHCl<sub>2</sub>/CCl<sub>3</sub> with NO<sub>2</sub>.
- Published in:
- Journal of Computational Chemistry, 2006, v. 27, n. 5, p. 661, doi. 10.1002/jcc.20380
- By:
- Publication type:
- Article
11
Radical reaction C<sub>3</sub>H+NO: A mechanistic study.
- Published in:
- Journal of Computational Chemistry, 2006, v. 27, n. 5, p. 641, doi. 10.1002/jcc.20367
- By:
- Publication type:
- Article
12
The VMFCI method: A flexible tool for solving the molecular vibration problem.
- Published in:
- Journal of Computational Chemistry, 2006, v. 27, n. 5, p. 627, doi. 10.1002/jcc.20374
- By:
- Publication type:
- Article