A computational characterization of boron-oxygen multiple bonding in HN=CH-CH=CH-NH-BO

Journal of Physical Chemistry A

Volumn 112, Issue 36, 2008, Pages 8446-8454

  Larkin, Joseph D ^a,d   Bhat, Krishna L ^e   Markham, George D ^c   James, Tony D ^f   Brooks, Bernard R ^d   Bock, Charles W ^b,c  

^a BLOOMSBURG UNIVERSITY   (United States)

^b THOMAS JEFFERSON UNIVERSITY   (United States)

^c FOX CHASE CANCER CENTER   (United States)

^d NATIONAL HEART LUNG AND BLOOD INSTITUTE   (United States)

^e WIDENER UNIVERSITY   (United States)

^f University of Bath Claverton Down   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

AQUEOUS ENVIRONMENTS; BASIS SETS; BOND LENGTHS; BOND ORDERS; BONDING CHARACTERISTICS; BORON-CONTAINING; BORON-OXYGEN; COMPUTATIONAL CHARACTERIZATION; COMPUTATIONALLY EFFICIENT; DENSITY FUNCTIONAL THEORY CALCULATIONS; FUNCTIONALS; PERTURBATION THEORY; RELATIVE ENERGIES; SECOND ORDERS; TRIPLE BONDS;

AMINES; BORON; BORON COMPOUNDS; DENSITY FUNCTIONAL THEORY; ORGANIC COMPOUNDS; OXYGEN; PERTURBATION TECHNIQUES; PROBABILITY DENSITY FUNCTION;

NONMETALS;

ALKANE; ALKYNE; BORON; BORON DERIVATIVE; CYANIDE; HYDROGEN; NITROGEN; OXYGEN;

ALGORITHM; ARTICLE; CHEMICAL MODEL; CHEMISTRY; QUANTUM THEORY; THERMODYNAMICS;

ALGORITHMS; ALKANES; ALKYNES; BORON; BORON COMPOUNDS; CYANIDES; HYDROGEN; MODELS, CHEMICAL; NITROGEN; OXYGEN; QUANTUM THEORY; THERMODYNAMICS;

EID: 52349105024     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp800125p     Document Type: Article

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