Works matching IS 1432881X AND DT 2012 AND VI 131 AND IP 11
Results: 6
Time-dependent density functional theory study of charge transfer in collisions.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2012, v. 131, n. 11, p. 1, doi. 10.1007/s00214-012-1289-5
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- Article
Second-order Brillouin-Wigner perturbation theory: size-extensivity correction.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2012, v. 131, n. 11, p. 1, doi. 10.1007/s00214-012-1285-9
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- Article
On the spectral intensities of vibrational transitions in polyatomic molecules: role of electrical and mechanical anharmonicities.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2012, v. 131, n. 11, p. 1, doi. 10.1007/s00214-012-1282-z
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- Article
Implementation in the Pyvib2 program of the localized mode method and application to a helicene.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2012, v. 131, n. 11, p. 1, doi. 10.1007/s00214-012-1284-x
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- Article
All-electron scalar relativistic basis sets for the 6 p elements.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2012, v. 131, n. 11, p. 1, doi. 10.1007/s00214-012-1292-x
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- Article
Effects of microhydration on the characteristics of cation-phenol complexes.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2012, v. 131, n. 11, p. 1, doi. 10.1007/s00214-012-1290-z
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- Article