Works matching IS 01928651 AND DT 2016 AND VI 37 AND IP 26
Results: 9
Partial hessian fitting for determining force constant parameters in molecular mechanics.
- Published in:
- Journal of Computational Chemistry, 2016, v. 37, n. 26, p. 2349, doi. 10.1002/jcc.24457
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- Article
Issue Information.
- Published in:
- Journal of Computational Chemistry, 2016, v. 37, n. 26, p. 2335, doi. 10.1002/jcc.24105
- Publication type:
- Article
Water molecules inside protein structure affect binding of monosaccharides with HIV-1 antibody 2G12.
- Published in:
- Journal of Computational Chemistry, 2016, v. 37, n. 26, p. 2341, doi. 10.1002/jcc.24447
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- Article
Predicting Pt-195 NMR chemical shift using new relativistic all-electron basis set.
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- Journal of Computational Chemistry, 2016, v. 37, n. 26, p. 2360, doi. 10.1002/jcc.24461
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- Article
Accurate adsorption energies for small molecules on oxide surfaces: CH<sub>4</sub>/MgO(001) and C<sub>2</sub>H<sub>6</sub>/MgO(001).
- Published in:
- Journal of Computational Chemistry, 2016, v. 37, n. 26, p. 2374, doi. 10.1002/jcc.24462
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- Article
Mechanistic insight on ( E)-methyl 3-(2-aminophenyl)acrylate cyclization reaction by multicatalysis of solvent and substrate.
- Published in:
- Journal of Computational Chemistry, 2016, v. 37, n. 26, p. 2386, doi. 10.1002/jcc.24463
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- Article
Ab initio potential energy surface and vibration-rotation energy levels of silicon dicarbide, SiC<sub>2</sub>.
- Published in:
- Journal of Computational Chemistry, 2016, v. 37, n. 26, p. 2395, doi. 10.1002/jcc.24464
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- Article
Cover Image, Volume 37, Issue 26.
- Published in:
- Journal of Computational Chemistry, 2016, v. 37, n. 26, p. i, doi. 10.1002/jcc.24484
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- Article
Cover Image, Volume 37, Issue 26.
- Published in:
- Journal of Computational Chemistry, 2016, v. 37, n. 26, p. ii, doi. 10.1002/jcc.24485
- Publication type:
- Article