The analytic evaluation of second-order møller-plesset (MP2) dipole moment derivatives
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference58 articles.
1. Ab initio calculations of vibrational spectra and their use in the identification of unusual molecules
2. Analytic evaluation and basis set dependence of intensities of infrared spectra
3. Vibrational frequencies and infrared intensities for malonaldehyde: a post-Hartree-Fock theoretical study
4. Ab initio calculation for properties of hydrogen bonded complexes H3N?HCN, HCN?HCN, HCN?HF, H2O?HF
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