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Journal of Physical Chemistry C

Volumn 115, Issue 5, 2011, Pages 1635-1642

Theoretical study of the molecular and electronic structures of TiO 4H4, Ti2O7H6, and Ti 2O6H4

(2) Tsuchiya, Takashi a Whitten, Jerry L a

a NORTH CAROLINA STATE UNIVERSITY (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CONFIGURATION-INTERACTION CALCULATIONS; ELECTRON HOLE PAIRS; ENERGIES OF ELECTRONIC STATE; MOLECULAR CONFORMATION; MOLECULAR GEOMETRIES; MULTI STATE; THEORETICAL STUDY; TIO; TITANIUM COMPLEXES; TITANIUM DIOXIDE SURFACES; TRANSFORMATION METHODS;

CHEMICAL BONDS; COMPLEXATION; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; EXCITED STATES; MOLECULAR ORBITALS; TITANIUM; TITANIUM DIOXIDE; TITANIUM OXIDES;

MOLECULAR OXYGEN;

EID: 79952651992 PISSN: 19327447 EISSN: 19327455 Source Type: Journal
DOI: 10.1021/jp109393x Document Type: Article

Times cited : (6)

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