Atomic multipoles: Electrostatic potential fit, local reference axis systems, and conformational dependence.
- Published in:
- Journal of Computational Chemistry, 2012, v. 33, n. 20, p. 1673, doi. 10.1002/jcc.22996
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- Publication type:
- Article
Works matching IS 01928651 AND DT 2012 AND VI 33 AND IP 20
Results: 6
1
2
Theoretical study of the excited-state double proton transfer in the (3-methyl-7-azaindole)-(7-azaindole) heterodimer.
- Published in:
- Journal of Computational Chemistry, 2012, v. 33, n. 20, p. 1701, doi. 10.1002/jcc.23000
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- Article
3
Structural informatics, modeling, and design with an open-source Molecular Software Library (MSL).
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- Journal of Computational Chemistry, 2012, v. 33, n. 20, p. 1645, doi. 10.1002/jcc.22968
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- Article
4
The dynamics of the calcium-induced chain-chain association in the polyuronate systems.
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- Journal of Computational Chemistry, 2012, v. 33, n. 20, p. 1709, doi. 10.1002/jcc.23001
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- Publication type:
- Article
5
Molecule-specific determination of atomic polarizabilities with the polarizable atomic multipole model.
- Published in:
- Journal of Computational Chemistry, 2012, v. 33, n. 20, p. 1662, doi. 10.1002/jcc.22985
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- Publication type:
- Article
6
DFT study of the mechanism of hydroamination of ethylene with ammonia catalyzed by diplatinum(II) complexes: Inner- or outer-sphere?
- Published in:
- Journal of Computational Chemistry, 2012, v. 33, n. 20, p. 1689, doi. 10.1002/jcc.22999
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- Publication type:
- Article