Reactions of diborane with ammonia and ammonia borane: Catalytic effects for multiple pathways for hydrogen release

Journal of Physical Chemistry A

Volumn 112, Issue 40, 2008, Pages 9946-9954

  Nguyen, Vinh Son ^b   Matus, Myrna H ^a   Nguyen, Minh Tho ^a,b   Dixon, David A ^a  

^a UNIVERSITY OF ALABAMA   (United States)

^b UNIVERSITY OF LEUVEN   (Belgium)

Author keywords

[No Author keywords available]

Indexed keywords

AMMONIA; CARBONACEOUS ADSORBENTS; CHEMICAL ACTIVATION; ELECTRONIC STRUCTURE; ENERGY BARRIERS; FLOW INTERACTIONS; HYDROGEN; MINE FLOODING; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY; RATE CONSTANTS; THEOREM PROVING;

AMMONIA BORANES; BASIS SETS; BIFUNCTIONAL; BRIDGE BONDS; CATALYTIC EFFECTS; CCSD; CONFORMATIONAL CHANGES; CONSISTENT; CYCLIC TRANSITIONS; DIBORANE; ENERGY TRANSITION STATES; HYDROGEN RELEASES; INTERNAL ENERGIES; MOLECULAR MECHANISMS; MULTIPLE REACTION PATHWAYS; PREASSOCIATION; REACTION PATHWAYS; REFERENCE POINTS; STATIONARY POINTS; STRUCTURE CALCULATIONS; TOTAL ENERGIES; TRANSITION STATES;

SURFACE REACTIONS;

EID: 54849442161     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp804714r     Document Type: Article

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