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Keyword [TDDFT]
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1. Theoretical Study Of The Organic Nonlinear Optical Materials Using The TDDFT-SOS Method
2. A Theoretical Study Of The Electron Excitation Spectra Of Bio-chromophores Of Interest
3. Theoretical Studies On The Structure-property Relationship And Exciton Dynamics Of Multi-scaled Systems
4. Synthesis And Application Of New Phosphorescent Pt(Ⅱ)Complexes
5. Theoretical Study Of Intramolecular Nucleophilic Substitution On Nitrogen And Tautomerism Of 2-Aminothiazole
6. Theoretical Study On Electronic Structure And Photophysical Properties Of 2,6-dithienyl Acene Oligomers
7. Theoretical Study On The Structures And Absorption Spectra For Some Styryl Dyes And On The Reaction Mechanism Of Small Radicals
8. A Theoretical Study Of Electronic Absorption Spectrum Of Photochomic Materials
9. The Electronic Properties Of Dilacunary Keggin Polyoxometalates [γ-X～(n+)W10O36]～((12-n)-) (X=Al, Si, P, S, Ga, Ge, As, Se) By DFT
10. Theoretical Study On The Nonlinear Optical Properties Of Dinuclear D～(10) Transition Metal Acetylides Using The TDDFT-SOS Method
11. Theoretical Investigation Of Photoinduced Electron Transfer In Para-aminobenzophenone
12. Theoretical Study On The Electronic Structures And Optical Properties Of Oxadisilole-Substituted Acenes And 5-(2-Pyridyl) Pyrazolate Boron Complexes
13. Theoretical Study On The Electronic Structures And Optical Properties Of 2-Phenylbenzoxazole And 5-(2-Pyridyl) Pyrazolate Boron Complexes
14. Theoretical Analysis Of The Circular Dichroism Spectra Of Chiral Metal Complexes
15. Theoretical Study Of The Impact Of Non-conjugated Nuture In Carbene Ir(Ⅲ) Complexes On The Excited State And Spectrocscopic Properties
16. Calculations Of The Excited-state Electronic Structure For Fullerene And Its Derivatives
17. Theoretical Studies Of Excited State Hydrogen Bond For Coumarin Molecular Systems
18. TDDFT Study Of Intermolecular Hydrogen Bond,Intramolecular Hydrogen Bond And Their Interaction Of Conjugated Organic Molecules
19. Tuning The Excited States Of Au~Ⅲ And Pt~ⅡComplexes Showing Visible Light-harvesting And Long-life For Their Applications
20. Theoretical Investigation On The Gas Adsorption And Molecular Recognition Of Metal-Organic Frameworks
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