Carbene proton attachment energies: Theoretical study

Journal of Physical Chemistry A

Volumn 112, Issue 23, 2008, Pages 5269-5277

  Azenkeng, Alexander ^a   Laumb, Jason D ^a   Jensen, Robert R ^a   Olson, Edwin S ^a   Benson, Steven A ^a   Hoffmann, Mark R ^a  

^a UNIVERSITY OF NORTH DAKOTA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AB-INITIO METHODS; BASIS SETS; BOND ANGLES; BOND-LENGTHS; CARBENE; CARBENES; CARBENIUM IONS; CCSD; COMPUTATIONAL PROTOCOLS; COMPUTER RESOURCES; DENSITY-FUNCTIONAL; ELECTRONIC ENERGIES; EQUILIBRIUM GEOMETRIES; G3 THEORY; HARMONIC VIBRATIONAL FREQUENCIES; HYBRID DFT; MEAN ABSOLUTE DEVIATION; MOLECULES AND IONS; PHENYL SUBSTITUENTS; PHENYLCARBENE; SECOND ORDERS; STATIONARY POINTS; ZERO-POINT;

COAL DEPOSITS; COMPLEXATION; COMPUTATIONAL GEOMETRY; DISCRETE FOURIER TRANSFORMS; ELECTROLYSIS; HYDROCARBONS; IONS; MOLECULES; NETWORK PROTOCOLS; ORGANIC COMPOUNDS; POSITIVE IONS; PROBABILITY DENSITY FUNCTION; PROTONS;

DENSITY FUNCTIONAL THEORY;

EID: 53349153580     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp7115214     Document Type: Article

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