Works matching IS 01928651 AND DT 2015 AND VI 36 AND IP 27
Results: 8
Effect of methylation on relative energies of tautomers and on the intramolecular proton transfer barriers of protonated nitrosamine: A MR- CISD study.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 27, p. 2027, doi. 10.1002/jcc.24007
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- Publication type:
- Article
Cover Image, Volume 36, Issue 27.
- Published in:
- 2015
- Publication type:
- Other
Modeling exact exchange potential in spherically confined atoms.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 27, p. 2037, doi. 10.1002/jcc.24040
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- Publication type:
- Article
Enhanced stability of the model mini-protein in amino acid ionic liquids and their aqueous solutions.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 27, p. 2044, doi. 10.1002/jcc.24042
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- Publication type:
- Article
Parametrization of macrolide antibiotics using the force field toolkit.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 27, p. 2052, doi. 10.1002/jcc.24043
- By:
- Publication type:
- Article
Application of a BOSS-Gaussian interface for QM/MM simulations of Henry and methyl transfer reactions.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 27, p. 2064, doi. 10.1002/jcc.24045
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- Publication type:
- Article
SCC-DFTB parameters for simulating hybrid gold-thiolates compounds.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 27, p. 2075, doi. 10.1002/jcc.24046
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- Publication type:
- Article
GeauxDock: A novel approach for mixed-resolution ligand docking using a descriptor-based force field.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 27, p. 2013, doi. 10.1002/jcc.24031
- By:
- Publication type:
- Article