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Keyword [CASSCF]
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1. Theoretical Investigations On The Spectroscopic Properties Of Molecules Related To Interstellar Medium And Air Pollution
2. .5 D-transition Metal Double Atomic Carbides And Nitrides Of The Electronic Structure And Spectral Behavior,
3. The CASSCF Study Of Trans-formanilide And Trans-formanilide.Ar
4. The Photodissociation Mechanisms Of Acrylonitrile: Ab Initio Calculations On Reaction Channels And Surface Intersections
5. Theoretical Investigation On The Excited States Of HNCS And Its Ions
6. Excited-state Structural Dynamics And Decay Mechanism Of Conjugated Molecules Containing Heteroatoms
7. Theoretical Investigation On Photochemistry Of5-diazo Meldrum’s Acid: Wolff Rearrangement And Isomerization
8. Multireference Ab Initio Study On The Low-lying Excited States Of Isoselenocyanic Acid, HNCSe
9. Multireference Theoretical Investigations On The Small Molecule Containing Peroxy Radical
10. The Substitutent Effect On The Spectra And Molecular Configuration Of The Ethynylaniline
11. Study Of Aryl Azides Excited-state Structure And Non-radiating Dynamics
12. Theoretical Studies On Excited States Intramolecular Proton Transfer Reaction Of Some Conjugated Organic Molecules
13. Molecular Design And Theoretical Study Of The Character For Singlet Fission
14. Solvent Effects Controlled Excited-state Structural Dynamics And Decay Mechanism Of 2-cyclohexen-1-one And 2-pyridone
15. Study Of Excited State Structure Dynamics Of Aza And Thioucleic Acid Bases
16. Effect Of Twisted Angle Of Nitro Group On Excited State Dynamics Of Nitro Naphthalenes
17. Study Of Short-time Dynamics Of ?,?-Enones From The Lowest Light-absorption State S(??*)
18. Theoretical Calculation Of The Excited State Potential Energy Surfaces And Dynamics Of ?-? Enones And Pyrimidine Bases
19. Experimental And Theoretical Studies On The Excited State Dynamics Of Aromatic Aldehydes
20. Study Of Excited-State Potential Energy Surfaces Crossing Dynamics Of Conjugated Polyenal
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