Mode Robustness in Raman Optical Activity
详细信息 查看全文
- 作者：Matteo Tommasini ; Giovanna Longhi ; Giuseppe Mazzeo ; Sergio Abbate ; Bel茅n Nieto-Ortega ; Francisco J. Ram铆rez ; Juan Casado ; Juan Teodomiro L贸pez Navarrete
- 刊名：Journal of Chemical Theory and Computation
- 出版年：2014
- 出版时间：December 9, 2014
- 年：2014
- 卷：10
- 期：12
- 页码：5520-5527
- 全文大小：565K
- ISSN：1549-9626
文摘
By reformulating Raman and ROA invariants we provide ground for the definition of robust modes in ROA spectroscopy. Introduction of two parameters defining robustness helps characterization and assignment of ROA bands. Application and use of robustness parameters to [n]helicenes and oxirane/thiirane derivatives are presented.