A novel semi-empirical topological descriptor Nt and the application to study on QSPR/QSAR.
- Published in:
- Journal of Computational Chemistry, 2007, v. 28, n. 15, p. 2413, doi. 10.1002/jcc.20540
- By:
- Publication type:
- Article
Works matching IS 01928651 AND DT 2007 AND VI 28 AND IP 15
Results: 11
1
2
Revised model core potentials of s-block elements.
- Published in:
- Journal of Computational Chemistry, 2007, v. 28, n. 15, p. 2424, doi. 10.1002/jcc.20612
- By:
- Publication type:
- Article
3
Systematic studies on the computation of nuclear magnetic resonance shielding constants and chemical shifts: The density functional models.
- Published in:
- Journal of Computational Chemistry, 2007, v. 28, n. 15, p. 2431, doi. 10.1002/jcc.20641
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- Publication type:
- Article
4
Excited states of GFP chromophore and active site studied by the SAC-CI method: Effect of protein-environment and mutations.
- Published in:
- Journal of Computational Chemistry, 2007, v. 28, n. 15, p. 2443, doi. 10.1002/jcc.20667
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- Publication type:
- Article
5
Identification of biomolecular conformations from incomplete torsion angle observations by hidden markov models.
- Published in:
- Journal of Computational Chemistry, 2007, v. 28, n. 15, p. 2453, doi. 10.1002/jcc.20692
- By:
- Publication type:
- Article
6
Searching for globally optimal functional forms for interatomic potentials using genetic programming with parallel tempering.
- Published in:
- Journal of Computational Chemistry, 2007, v. 28, n. 15, p. 2465, doi. 10.1002/jcc.20710
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- Publication type:
- Article
7
Theoretical investigation on the protonation reactions and products of the stable [N,C,C,S] isomers.
- Published in:
- Journal of Computational Chemistry, 2007, v. 28, n. 15, p. 2472, doi. 10.1002/jcc.20719
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- Publication type:
- Article
8
IDEA: Interface dynamics and energetics algorithm.
- Published in:
- Journal of Computational Chemistry, 2007, v. 28, n. 15, p. 2483, doi. 10.1002/jcc.20722
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- Publication type:
- Article
9
Molecular mechanics (MM4) study of amines.
- Published in:
- Journal of Computational Chemistry, 2007, v. 28, n. 15, p. 2391, doi. 10.1002/jcc.20737
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- Publication type:
- Article
10
Structural, electronic, and optical properties of phosphole-containing π-conjugated oligomers for light-emitting diodes.
- Published in:
- Journal of Computational Chemistry, 2007, v. 28, n. 15, p. 2500, doi. 10.1002/jcc.20753
- By:
- Publication type:
- Article
11
Aromatic-backbone interactions in model α-helical peptides.
- Published in:
- 2007
- By:
- Publication type:
- Erratum