Quantum chemical calculation of intrinsic reaction coordinates from trans to cis structure of fluvoxamine

Chemical Compounds

• Fluvoxamine 100%
• Z Isomer 72%
• E Isomer 48%
• Serotonin 11%
• Cis Isomer 10%
• Trans Isomer 10%
• Ultraviolet Irradiation 9%
• Transition State 8%
• Raman Spectrum 8%
• Chemical Shift 8%
• Isomerization 8%
• Molecular Dynamics 7%
• Pharmaceutical 7%
• Absorption Spectrum 7%
• Reaction Activation Energy 7%
• NMR Spectroscopy 6%
• Density Functional Theory 6%
• Aqueous Solution 5%

Medicine & Life Sciences

• Fluvoxamine 85%
• Density Functional Theory 35%
• Molecular Dynamics Simulation 22%
• Serotonin Uptake Inhibitors 22%
• Magnetic Resonance Spectroscopy 17%
• Theoretical Models 16%
• Pharmaceutical Preparations 8%

Physics & Astronomy

• isomers 60%
• serotonin 8%
• inhibitors 5%
• isomerization 5%
• chemical equilibrium 5%
• infrared spectra 4%
• aqueous solutions 4%
• integral equations 4%
• nuclear magnetic resonance 4%
• density functional theory 3%
• Raman spectra 3%
• absorption spectra 3%
• activation energy 3%
• continuums 3%
• molecular dynamics 3%
• formalism 3%
• irradiation 3%