Solution Structure and Ultrafast Vibrational Relaxation of the PtPOP Complex Revealed by ΔSCF-QM/MM Direct Dynamics Simulations

Chemistry

• Vibrational Relaxation 100%
• Hartree-Fock Calculation 100%
• Excited Singlet State 100%
• Computer Simulation 100%
• Solution Structure 100%
• Density Functional Theory 50%
• Excited Triplet State 50%
• Solvent Effect 50%
• Vibrational Energy 50%
• Molecular Mechanic 50%
• Photoexcitation 50%
• Vibrational Energy Redistribution 50%
• Potential Energy Surface 50%
• Normal Modes 50%
• Stretching Vibration 50%
• Pseudorotation 50%
• Structure 50%
• Excited State 50%
• Molecular Dynamics 50%
• Quantum Mechanics 50%

Keyphrases

• Vibrational Cooling 66%
• Generalized Normal Distribution 33%
• Pseudorotation 33%