Works matching IS 01928651 AND DT 2012 AND VI 33 AND IP 20
Results: 6
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
- By:
- Publication type:
- Article
Structural informatics, modeling, and design with an open-source Molecular Software Library (MSL).
- Published in:
- Journal of Computational Chemistry, 2012, v. 33, n. 20, p. 1645, doi. 10.1002/jcc.22968
- By:
- Publication type:
- Article
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
- By:
- Publication type:
- Article
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
- By:
- Publication type:
- Article
The dynamics of the calcium-induced chain-chain association in the polyuronate systems.
- Published in:
- Journal of Computational Chemistry, 2012, v. 33, n. 20, p. 1709, doi. 10.1002/jcc.23001
- By:
- Publication type:
- Article
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
- By:
- Publication type:
- Article