Computational NMR Study of

• Tác giả: Leonid B Krivdin, Gary E Martin, Valentin A Semenov
• Ngôn ngữ: eng
• Ký hiệu phân loại: 261.836 Population
• Thông tin xuất bản: Switzerland : International journal of molecular sciences , 2025
• Bộ sưu tập: NCBI
• ID: 705459

Tóm tắt

It is demonstrated that by using modern computational methods, it is possible to identify potential structural misassignments for even molecules as complex as cryptospirolepine. While methods that rely on anisotropic nuclear magnetic resonance (NMR) methods can also be used to offer a powerful orthogonal means of structure elucidation and verification, the present computational study should be feasible in most chemistry departments with access to sophisticated computational facilities. From the overall correlations calculated against experimental