(Q59433953)

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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

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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 (English)

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Kenji Sugisaki

1

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Kazunobu Sato

object named as

Kazunobu Sato

series ordinal

3

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author name string

Kazuo Toyota

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2

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Daisuke Shiomi

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4

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Masahiro Kitagawa

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5

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Takeji Takui

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6

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publication date

August 2009

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published in

Chemical Physics Letters

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volume

477

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issue

4-6

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page(s)

369-373

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DOI

10.1016/J.CPLETT.2009.07.007

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(Q59433953)

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

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