Multireference Ab Initio Density Matrix Renormalization Group (DMRG)-CASSCF and -CASPT2 Study on the Photochromic Ring-Opening of Spiropyran
Release time: 2021/11/19
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Affiliation of Author(s):
化学化工学院
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Journal:
化学理论与计算杂志
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Co-author:
Yuki Kurashige,Keiji,Takeshi Yanai
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Correspondence Author:
Keiji Morokuma
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Volume:
9
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Issue:
10
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Page Number:
4462-4469
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ISSN No.:
1549-9618
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Translation or Not:
no
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Date of Publication:
2013/01/01