Found: 12
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Modified calculations of hydrocarbon thermodynamic properties.
- Published in:
- Journal of Computational Chemistry, 2006, v. 27, n. 5, p. 537, doi. 10.1002/jcc.20353
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- Article
Ylidic radical–molecule reactions.
- Published in:
- Journal of Computational Chemistry, 2006, v. 27, n. 5, p. 545, doi. 10.1002/jcc.20362
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- Article
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
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- Article
Are calculated enthalpies of formation sometimes more reliable than experimental? A test on alkyl substituted benzoic acids.
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- Journal of Computational Chemistry, 2006, v. 27, n. 5, p. 571, doi. 10.1002/jcc.20368
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- Article
An orbital localization criterion based on the theory of “fuzzy” atoms.
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- Journal of Computational Chemistry, 2006, v. 27, n. 5, p. 596, doi. 10.1002/jcc.20373
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- Article
Monosilicon-substituted cyanoacetylene: A computational study.
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- Journal of Computational Chemistry, 2006, v. 27, n. 5, p. 578, doi. 10.1002/jcc.20365
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- Article
The VMFCI method: A flexible tool for solving the molecular vibration problem.
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- Journal of Computational Chemistry, 2006, v. 27, n. 5, p. 627, doi. 10.1002/jcc.20374
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- Article
Singular value decomposition of torsional angles of analogs of the dopamine reuptake inhibitor GBR 12909.
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- Journal of Computational Chemistry, 2006, v. 27, n. 5, p. 609, doi. 10.1002/jcc.20371
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- Article
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
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- Article
Theoretical mechanistic study on the radical-molecule reaction of CHCl<sub>2</sub>/CCl<sub>3</sub> with NO<sub>2</sub>.
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- Journal of Computational Chemistry, 2006, v. 27, n. 5, p. 661, doi. 10.1002/jcc.20380
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- Article
Radical reaction C<sub>3</sub>H+NO: A mechanistic study.
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- Journal of Computational Chemistry, 2006, v. 27, n. 5, p. 641, doi. 10.1002/jcc.20367
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- Article
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
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- Article