Gradients for configuration interaction energies with spin-orbit coupling in a semiempirical framework
Author:
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Link
http://onlinelibrary.wiley.com/wol1/doi/10.1002/jcc.21850/fullpdf
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1. Study of Acetone Photodissociation over the Wavelength Range 248−330 nm: Evidence of a Mechanism Involving Both the Singlet and Triplet Excited States
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4. The Influence of Spin Effects on the Gas Phase Reactions of Carbanions with N and O Atoms
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