Ab initio calculations of spin–orbit contribution to the zero-field splitting tensors of nπ∗ excited states by the CASSCF method with MRMP2 energy correction-Reference-Cited by-同舟云学术

Ab initio calculations of spin–orbit contribution to the zero-field splitting tensors of nπ∗ excited states by the CASSCF method with MRMP2 energy correction

Published:2009-08 Issue:4-6 Volume:477 Page:369-373
ISSN:0009-2614
Container-title:Chemical Physics Letters
language:en
Short-container-title:Chemical Physics Letters

Author:

Sugisaki Kenji,Toyota Kazuo,Sato Kazunobu,Shiomi Daisuke,Kitagawa Masahiro,Takui Takeji

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Reference45 articles.

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4. The dynamic properties of the lowest triplet states of pyrazine and pyrimidine in zero magnetic field

5. Optical and Magnetic Field Studies of the Lowest Triplet State of the Pyrazine Crystal

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