Automatic generation of potential energy and property surfaces of polyatomic molecules in normal coordinates
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.2805085
Reference73 articles.
1. T. Seideman, in Computational Molecular Spectroscopy, edited by P. Jensen and P. R. Bunker (Wiley, Chichester, 2000), pp. 589–624.
2. Directab initiovariational calculation of vibrational energies of the H2O⋯Cl− complex and resolution of experimental differences
3. Ab initio calculation of anharmonic vibrational states of polyatomic systems: Electronic structure combined with vibrational self-consistent field
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