The influence of excess ammonia on the mechanism of the reaction of boron trichloride with ammonia - An ab initio molecular dynamics study

Angewandte Chemie - International Edition

Volumn 40, Issue 19, 2001, Pages 3683-3685

  Reinhardt, Silke ^a,b,c   Marian, Christel M ^a,b,c   Frank, Irmgard ^a,b,c  

^a FRAUNHOFER INSTITUTE FOR APPLIED INFORMATION TECHNOLOGY FIT   (Germany)

^b UNIVERSITY OF BONN   (Germany)

^c UNIVERSITY OF MUNICH   (Germany)

Author keywords

Density functional calculations; Molecular dynamics; Reaction mechanisms; Solvent effects; Solvolysis

Indexed keywords

BORON COMPOUNDS; ELECTRONS; HYDROGEN BONDS; MOLECULAR DYNAMICS; NITROGEN;

GAS PHASE;

AMMONIA;

AMMONIA; BORON DERIVATIVE; CHLORIDE;

ARTICLE; CALCULATION; CHEMICAL REACTION; ENERGY; ENTROPY; GAS; MOLECULAR DYNAMICS; REACTION ANALYSIS;

EID: 0035476485     PISSN: 14337851     EISSN: None     Source Type: Journal    
DOI: 10.1002/1521-3773(20011001)40:19<3683::AID-ANIE3683>3.0.CO;2-Q     Document Type: Article

References (20)