Circular dichroism spectra calculation of diastereomeric c-7 pentacyclic oxindole alkaloids using density functional theory and time-dependent density functional theory methods / Yusri Mohd Yunus

• Main Author: Mohd Yunus, Yusri
• Format: Thesis
• Language: English
• Published: 2020
• Subjects: Physical and theoretical chemistry
• Online Access: https://ir.uitm.edu.my/id/eprint/59873/1/59873.pdf; https://ir.uitm.edu.my/id/eprint/59873/

Density Functional Theory (DFT) and time-dependent density functional theory (TD-DFT) are reliable methods to calculate circular dichroism (CD) spectra in assigning the absolute configuration (AC) of chiral compounds. It requires choosing the correct level of theory that includes basis set, exchange...