Works matching IS 17590876 AND DT 2012 AND VI 2 AND IP 1
Results: 11
Energy decomposition analysis.
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- WIREs: Computational Molecular Science, 2012, v. 2, n. 1, p. 43, doi. 10.1002/wcms.71
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Explicitly correlated electronic structure theory from R12/F12 ansätze.
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- WIREs: Computational Molecular Science, 2012, v. 2, n. 1, p. 114, doi. 10.1002/wcms.68
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- Article
The ORCA program system.
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- WIREs: Computational Molecular Science, 2012, v. 2, n. 1, p. 73, doi. 10.1002/wcms.81
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Recent developments and applications of the CHARMM force fields.
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- WIREs: Computational Molecular Science, 2012, v. 2, n. 1, p. 167, doi. 10.1002/wcms.74
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- Article
Relativistic Douglas-Kroll-Hess theory.
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- WIREs: Computational Molecular Science, 2012, v. 2, n. 1, p. 139, doi. 10.1002/wcms.67
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Recent developments in the PQS program.
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- WIREs: Computational Molecular Science, 2012, v. 2, n. 1, p. 63, doi. 10.1002/wcms.80
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Natural bond orbital methods.
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- WIREs: Computational Molecular Science, 2012, v. 2, n. 1, p. 1, doi. 10.1002/wcms.51
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Circular dichroism: electronic.
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- WIREs: Computational Molecular Science, 2012, v. 2, n. 1, p. 150, doi. 10.1002/wcms.55
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- Article
Computer-aided synthesis design: 40 years on.
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- WIREs: Computational Molecular Science, 2012, v. 2, n. 1, p. 79, doi. 10.1002/wcms.61
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Coupled-cluster theory and its equation-of-motion extensions.
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- WIREs: Computational Molecular Science, 2012, v. 2, n. 1, p. 126, doi. 10.1002/wcms.76
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- Article
Two personal perspectives on a key issue in contemporary 3D QSAR.
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- WIREs: Computational Molecular Science, 2012, v. 2, n. 1, p. 108, doi. 10.1002/wcms.69
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- Article