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Journal of Chemical Physics

Volumn 135, Issue 14, 2011, Pages

Ab initio investigation of titanium hydroxide isomers and their cations, TiOH0, + and HTiO0, +

(3) Miliordos, Evangelos a Harrison, James F a Hunt, Katharine L C a

a MICHIGAN STATE UNIVERSITY (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO INVESTIGATION; BASIS SETS; COUPLED CLUSTERS; ELECTRONIC AND GEOMETRICAL STRUCTURE; HARMONIC FREQUENCY; HYDROGEN ATOMS; MULTI REFERENCE CONFIGURATION INTERACTIONS; NEUTRAL SPECIES; POTENTIAL ENERGY PROFILES; STATIONARY POINTS; TIO; TITANIUM HYDROXIDES;

ELECTRONIC STRUCTURE; POTENTIAL ENERGY; QUANTUM CHEMISTRY; TITANIUM;

ISOMERS;

EID: 80054980229 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.3644963 Document Type: Article

Times cited : (10)

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