Computation of one and two electron spin‐orbit integrals
- 1 October 1988
- journal article
- research article
- Published by Wiley in Journal of Computational Chemistry
- Vol. 9 (7) , 771-778
- https://doi.org/10.1002/jcc.540090707
Abstract
No abstract availableKeywords
This publication has 19 references indexed in Scilit:
- Spin-orbit coupling in biradicals. Ab initio MCSCF calculations on trimethylene and the methyl-methyl radical pairJournal of the American Chemical Society, 1987
- The rate-determining step for decay of triplet biradicals: intersystem crossing vs. chain dynamicsJournal of the American Chemical Society, 1986
- Magnetic field effect on the intersystem crossing rate constants of biradicals measured by nanosecond transient UV absorptionJournal of the American Chemical Society, 1985
- Nanosecond flash photolysis studies of intersystem crossing rate constants in biradicals: structural effects brought about by spin-orbit couplingJournal of the American Chemical Society, 1985
- Cyclization and disproportionation kinetics of triplet generated, medium chain length, localized biradicals measured by time-resolved CIDNPJournal of the American Chemical Society, 1985
- Intersystem crossing in organic photochemical intermediatesPublished by Walter de Gruyter GmbH ,1984
- Laser flash photolysis studies of the reactions of some 1,4-biradicalsAccounts of Chemical Research, 1982
- Scavenging of 1,4-biradicals by bis(acetylacetonato)copper(II). The importance of paramagnetic effectsThe Journal of Physical Chemistry, 1982
- Effects of oxygen and di-tert-butyl nitroxide on the photoreaction of phenanthrene with dimethyl fumarate. Enhanced intersystem crossing and enhanced quantum yieldsThe Journal of Physical Chemistry, 1978
- Evaluation of molecular integrals over Gaussian basis functionsThe Journal of Chemical Physics, 1976