Found: 10
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Transition metal catalysis by density functional theory and density functional theory/molecular mechanics.
- Published in:
- WIREs: Computational Molecular Science, 2012, v. 2, n. 3, p. 375, doi. 10.1002/wcms.1092
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- Article
Hansch analysis 50 years on.
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- WIREs: Computational Molecular Science, 2012, v. 2, n. 3, p. 435, doi. 10.1002/wcms.1096
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- Article
Local modes in vibration-rotation spectroscopy.
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- WIREs: Computational Molecular Science, 2012, v. 2, n. 3, p. 494, doi. 10.1002/wcms.1089
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- Article
Ab initio calculation of magnetic circular dichroism.
- Published in:
- WIREs: Computational Molecular Science, 2012, v. 2, n. 3, p. 443, doi. 10.1002/wcms.1091
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- Article
Understanding protein unfolding from molecular simulations.
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- WIREs: Computational Molecular Science, 2012, v. 2, n. 3, p. 405, doi. 10.1002/wcms.1088
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- Article
Optimization of protein models.
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- WIREs: Computational Molecular Science, 2012, v. 2, n. 3, p. 479, doi. 10.1002/wcms.1090
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- Article
Density-functional tight binding-an approximate density-functional theory method.
- Published in:
- WIREs: Computational Molecular Science, 2012, v. 2, n. 3, p. 456, doi. 10.1002/wcms.1094
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- Article
Synergistic use of NMR and MD simulations to study the structural heterogeneity of proteins.
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- WIREs: Computational Molecular Science, 2012, v. 2, n. 3, p. 466, doi. 10.1002/wcms.1093
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- Article
Polarizable continuum model.
- Published in:
- WIREs: Computational Molecular Science, 2012, v. 2, n. 3, p. 386, doi. 10.1002/wcms.1086
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- Article
Computational toxicology: a tool for all industries.
- Published in:
- WIREs: Computational Molecular Science, 2012, v. 2, n. 3, p. 424, doi. 10.1002/wcms.100
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- Article