期刊
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
卷 2, 期 4, 页码 613-641出版社
WILEY
DOI: 10.1002/wcms.96
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资金
- University of Bologna
- University of Basilicata
- MIUR, Rome
An outlook of the various research fields of organic chemistry where conformational analysis plays a fundamental role is presented. The section Methodologies for Conformational Analysis is focused on the information that can be obtained by various spectroscopic techniques such as nuclear magnetic resonance and optical methods such as electronic circular dichroism and vibrational circular dichroism. A comprehensive screening of the more recent ab initio and density functional theory theoretical approaches to conformational analysis is presented in the section Theoretical Conformational Analysis. The section Application of Conformational Analysis to the Determination of the AC of Organic Molecules shows how the synergic use of experimental and theoretical methods can solve challenging conformational tasks arising from modern organic chemistry. (C) 2011 John Wiley & Sons, Ltd.
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