Found: 10
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Understanding the electronic energy transfer pathways in the trimeric and hexameric aggregation state of cyanobacteria phycocyanin within the framework of förster theory.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 12, p. 1005, doi. 10.1002/jcc.23221
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- Article
Comparison of thermodynamic integration and Bennett's acceptance ratio for calculating relative protein-ligand binding free energies.
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- Journal of Computational Chemistry, 2013, v. 34, n. 12, p. 1024, doi. 10.1002/jcc.23229
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- Article
Bis-μ-oxo and μ-η<sup>2</sup>:η<sup>2</sup>-peroxo dicopper complexes studied within (time-dependent) density-functional and many-body perturbation theory.
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- Journal of Computational Chemistry, 2013, v. 34, n. 12, p. 1035, doi. 10.1002/jcc.23230
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- Article
Effective fragment potential method in Q-CHEM: A guide for users and developers.
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- Journal of Computational Chemistry, 2013, v. 34, n. 12, p. 1060, doi. 10.1002/jcc.23223
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- Article
Cover Image, Volume 34, Issue 12.
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- Journal of Computational Chemistry, 2013, v. 34, n. 12, p. i, doi. 10.1002/jcc.23294
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- Article
NMR shielding constants of CuX, AgX, and AuX (X = F, Cl, Br, and I) investigated by density functional theory based on the douglas-kroll-hess hamiltonian.
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- Journal of Computational Chemistry, 2013, v. 34, n. 12, p. 1013, doi. 10.1002/jcc.23224
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- Article
Some case studies on application of ' r<sub> m</sub><sup>2</sup>' metrics for judging quality of quantitative structure-activity relationship predictions: Emphasis on scaling of response data.
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- Journal of Computational Chemistry, 2013, v. 34, n. 12, p. 1071, doi. 10.1002/jcc.23231
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- Article
PDECO: Parallel differential evolution for clusters optimization.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 12, p. 1046, doi. 10.1002/jcc.23235
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- Article
Electronic structure of the S<sub>1</sub> state in methylcobalamin: Insight from CASSCF/MC-XQDPT2, EOM-CCSD, and TD-DFT calculations.
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- Journal of Computational Chemistry, 2013, v. 34, n. 12, p. 987, doi. 10.1002/jcc.23204
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- Article
Inside Cover, Volume 34, Issue 12.
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- Journal of Computational Chemistry, 2013, v. 34, n. 12, p. iii, doi. 10.1002/jcc.23295
- Publication type:
- Article