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Description Calculated absorptions (λ > 400nm) of III (2H – 0H) in ACN by TD‐B3LYP (6–31G*).
Article Title: Theoretical studies on structural and spectroscopic properties of photoelectrochemical cell ruthenium sensitizers, derivatives of AR20
Publication Title: International Journal of Quantum Chemistry -
Description Partial optimized geometry structural parameters of I, II, III, and IV in the ground state by TD‐B3LYP (6–31G*), respectively. (S2 and S3 means dihedral angle between different thiophene plane and...
Article Title: Theoretical studies on structural and spectroscopic properties of photoelectrochemical cell ruthenium sensitizers, derivatives of AR20
Publication Title: International Journal of Quantum Chemistry -
Description Calculated absorptions (λ > 400nm) of III (2H – 0H) in ACN by TD‐B3LYP (6–31G*).
Article Title: Theoretical studies on structural and spectroscopic properties of photoelectrochemical cell ruthenium sensitizers, derivatives of AR20
Publication Title: International Journal of Quantum Chemistry -
Description Partial optimized geometry structural parameters of I, II, III, and IV in the ground state by TD‐B3LYP (6–31G*), respectively. (S2 and S3 means dihedral angle between different thiophene plane and...
Article Title: Theoretical studies on structural and spectroscopic properties of photoelectrochemical cell ruthenium sensitizers, derivatives of AR20
Publication Title: International Journal of Quantum Chemistry -
Description Phosphorescent emission of III (2H–0H) in ACN by TD‐B3LYP (6–31G*).
Article Title: Theoretical studies on structural and spectroscopic properties of photoelectrochemical cell ruthenium sensitizers, derivatives of AR20
Publication Title: International Journal of Quantum Chemistry -
Description Phosphorescent emission of III (2H–0H) in ACN by TD‐B3LYP (6–31G*).
Article Title: Theoretical studies on structural and spectroscopic properties of photoelectrochemical cell ruthenium sensitizers, derivatives of AR20
Publication Title: International Journal of Quantum Chemistry -
Description Calculated absorptions (λ > 400nm) of II (2H–0H) in ACN by TD‐B3LYP (6–31G*) (CI: configuration interaction; anch: anchoring ligands; anci: ancillary ligand; thi: thiophene).
Article Title: Theoretical studies on structural and spectroscopic properties of photoelectrochemical cell ruthenium sensitizers, derivatives of AR20
Publication Title: International Journal of Quantum Chemistry -
Description Partial MO compositions (%) of II (2H) (a), II (1H) (b) and II (0H) (c) in ACN by TD‐B3LYP (6–31G*).
Article Title: Theoretical studies on structural and spectroscopic properties of photoelectrochemical cell ruthenium sensitizers, derivatives of AR20
Publication Title: International Journal of Quantum Chemistry -
Description Calculated absorptions (λ > 400nm) of II (2H–0H) in ACN by TD‐B3LYP (6–31G*) (CI: configuration interaction; anch: anchoring ligands; anci: ancillary ligand; thi: thiophene).
Article Title: Theoretical studies on structural and spectroscopic properties of photoelectrochemical cell ruthenium sensitizers, derivatives of AR20
Publication Title: International Journal of Quantum Chemistry -
Description Partial MO compositions (%) of II (2H) (a), II (1H) (b) and II (0H) (c) in ACN by TD‐B3LYP (6–31G*).
Article Title: Theoretical studies on structural and spectroscopic properties of photoelectrochemical cell ruthenium sensitizers, derivatives of AR20
Publication Title: International Journal of Quantum Chemistry
Displaying all 10 assets.