Vibrational spectra and ab initio molecular orbital calculations of the novel anti-cancer drug combretastatin A-4 prodrug

Engineering & Materials Science

• Prodrugs 100%
• Orbital calculations 98%
• Molecular orbitals 86%
• Vibrational spectra 80%
• Bioactivity 45%
• Potential energy surfaces 28%
• Density functional theory 25%
• Conformations 21%
• Geometry 20%
• Molecules 16%

Chemical Compounds

• Prodrug 54%
• Vibrational Frequency 49%
• Vibrational Spectrum 49%
• Antineoplastic Agent 45%
• Ab Initio Calculation 44%
• Mesomeric Effect 38%
• Torsional Potential 36%
• Bioactivity 36%
• Antineoplastic 33%
• Methoxy Group 28%
• Potential Energy Surface 24%
• Density Functional Theory 15%
• Fourier Transform Infrared Spectroscopy 14%
• Molecule 8%

Physics & Astronomy

• vibrational spectra 57%
• drugs 51%
• molecular orbitals 50%
• cancer 47%
• rings 34%
• conjugation 30%
• geometry 28%
• phenyls 27%
• potential energy 21%
• density functional theory 19%
• orbitals 17%
• harmonics 17%
• configurations 13%
• molecules 13%
• interactions 10%