Performance of the reduced-size polarized Z3PolX basis set in calculations of vibrational polarizabilities, infrared, and Raman intensities: Application to formaldehyde molecule-Reference-Cited by-同舟云学术

Performance of the reduced-size polarized Z3PolX basis set in calculations of vibrational polarizabilities, infrared, and Raman intensities: Application to formaldehyde molecule

Published:2005 Issue:5 Volume:104 Page:660-666
ISSN:0020-7608
Container-title:International Journal of Quantum Chemistry
language:en
Short-container-title:Int. J. Quantum Chem.

Author:

Zaleśny Robert,Bartkowiak Wojciech

Publisher

Wiley

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics

Reference38 articles.

1. Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen

2. Electron affinities of the first‐row atoms revisited. Systematic basis sets and wave functions

3. Gaussian basis sets for use in correlated molecular calculations. III. The atoms aluminum through argon

4. Gaussian basis sets for use in correlated molecular calculations. IV. Calculation of static electrical response properties

5. High Level ab Initio Quantum Mechanical Predictions of Infrared Intensities

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