A comparison of ab initio optical rotations obtained with static and dynamic methods
- 30 October 1998
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 296 (1-2) , 105-110
- https://doi.org/10.1016/s0009-2614(98)01009-4
Abstract
No abstract availableThis publication has 16 references indexed in Scilit:
- Absolute Stereochemistry of Chiral Molecules from ab Initio Theoretical and Experimental Molecular Optical RotationsJournal of the American Chemical Society, 1998
- Theory-Assisted Determination of Absolute Stereochemistry for Complex Natural Products via Computation of Molar Rotation AnglesJournal of the American Chemical Society, 1998
- Molecular optical rotations and structuresTetrahedron: Asymmetry, 1997
- Ab initio molecular optical rotations and absolute configurationsMolecular Physics, 1997
- Vibrational Raman optical activity calculations using London atomic orbitalsFaraday Discussions, 1994
- Ab initio vibrational Raman and Raman optical activity spectraThe Journal of Physical Chemistry, 1990
- Electronic structure calculations on workstation computers: The program system turbomoleChemical Physics Letters, 1989
- Linear response calculations for large scale multiconfiguration self-consistent field wave functionsThe Journal of Chemical Physics, 1988
- Electric and magnetic properties of CO, HF, HCI, and CH3FChemical Physics Letters, 1982
- The quadrupole moments of dipolar moleculesMolecular Physics, 1968