Vibronic Coupling Density

Vibronic Coupling Density

Understanding Molecular Deformation

Sato, Tohru; Kato, Tatsuhisa; Haruta, Naoki

Springer Verlag, Singapore

06/2021

113

Mole

Inglês

9789811617959

15 a 20 dias

454

Descrição não disponível.
1. Introduction: What is understanding chemistry?.- 2. How the chemical processes are qualitatively explained by the simple molecular orbital theory.- 3. How the chemical processes are visualized and quantified by VCD and VCC.- 4. Relationship between Fukui function and VCD.- 5. Transition dipole moment density.- 6. Outlooks for new chemical systems by VCD and VCC.- 7. Appendix.
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Vibronic coupling density;Frontier orbital theory;Fukui function;Jahn-Teller effect;Transition dipole moment