Vibrational analysis of the inelastic neutron scattering spectrum of tetramethylammonium borohydride by molecular dynamics simulations and electronic structure calculations

Journal of Physical Chemistry A

Volumn 108, Issue 51, 2004, Pages 11369-11374

  Eckert, Juergen ^a   Sewell, Thomas D ^a   Kress, Joel D ^a   Kober, Edward M ^a   Wang, Lily L ^a   Olah, Glenn ^a  

^a LOS ALAMOS NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BOROHYDRIDE; CRYSTALLINE SOLIDS; MOLECULAR DYNAMICS (MD); NANOPOROUS MATERIALS;

BONDING; BORON; CRYSTALLINE MATERIALS; ELECTRONIC STRUCTURE; HYDROGEN; NATURAL FREQUENCIES; NEUTRON SCATTERING; SPECTRUM ANALYSIS;

NEUTRONS;

EID: 11444256372     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp048479v     Document Type: Article

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