DFT tests for group 8 transition metal carbonyl complexes.
- Published in:
- Journal of Molecular Modeling, 2008, v. 14, n. 3, p. 171, doi. 10.1007/s00894-007-0259-7
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- Publication type:
- Article
Works matching IS 16102940 AND DT 2008 AND VI 14 AND IP 3
Results: 6
1
2
Computer analyses of new numerical methods for the description of adsorption process and the reliability of identification of microporous structure parameters.
- Published in:
- Journal of Molecular Modeling, 2008, v. 14, n. 3, p. 183, doi. 10.1007/s00894-007-0260-1
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- Publication type:
- Article
3
Molecular dynamics simulation of hydrated Nafion with a reactive force field for water.
- Published in:
- Journal of Molecular Modeling, 2008, v. 14, n. 3, p. 225, doi. 10.1007/s00894-007-0265-9
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- Publication type:
- Article
4
Electrostatic interactions play an essential role in DNA repair and cold-adaptation of Uracil DNA glycosylase.
- Published in:
- Journal of Molecular Modeling, 2008, v. 14, n. 3, p. 201, doi. 10.1007/s00894-007-0261-0
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- Publication type:
- Article
5
Design of Benzene-1,2-diamines as selective inducible nitric oxide synthase inhibitors: a combined de novo design and docking analysis.
- Published in:
- Journal of Molecular Modeling, 2008, v. 14, n. 3, p. 215, doi. 10.1007/s00894-007-0263-y
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- Publication type:
- Article
6
Theoretical investigation of direct amination of β-ketoesters catalyzed by copper(II)-bisoxazoline(BOX).
- Published in:
- Journal of Molecular Modeling, 2008, v. 14, n. 3, p. 237, doi. 10.1007/s00894-007-0266-8
- By:
- Publication type:
- Article