A second-order perturbation theory route to vibrational averages and transition properties of molecules: General formulation and application to infrared and vibrational circular dichroism spectroscopies
出版年份 2012 全文链接
标题
A second-order perturbation theory route to vibrational averages and transition properties of molecules: General formulation and application to infrared and vibrational circular dichroism spectroscopies
作者
关键词
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出版物
JOURNAL OF CHEMICAL PHYSICS
Volume 136, Issue 12, Pages 124108
出版商
AIP Publishing
发表日期
2012-03-28
DOI
10.1063/1.3695210
参考文献
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- The fourth age of quantum chemistry: molecules in motion
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- Development and Validation of the B3LYP/N07D Computational Model for Structural Parameter and Magnetic Tensors of Large Free Radicals
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- Calculation of Electronic Circular Dichroism Spectra with Time-Dependent Double-Hybrid Density Functional Theory
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