Theoretical study of microscopic solvation of HCl in ammonia: HCl(NH3)n, n=1-4

Journal of Chemical Physics

Volumn 119, Issue 22, 2003, Pages 11695-11703

  Bacelo, Daniel E ^a   Fioressi, Silvina E ^b  

^a UNIVERSIDAD METROPOLITANA   (Puerto Rico)

^b UNIVERSIDAD DEL TURABO   (Puerto Rico)

Author keywords

[No Author keywords available]

Indexed keywords

AMMONIA; COMPUTER SIMULATION; ELECTRON ENERGY LEVELS; HYDROGEN BONDS; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; MONTE CARLO METHODS; PERTURBATION TECHNIQUES; PHASE TRANSITIONS; PROBABILITY DENSITY FUNCTION; STRUCTURE (COMPOSITION);

MOLLER-PLESSEL PERTURBATION THEORETICAL CALCULATIONS; MONTE CARLO SIMULATED ANNEALING; PROTON TRANSFER; SOLVATION;

HYDROCHLORIC ACID;

EID: 0347051661     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1624592     Document Type: Article

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