Hybrid diatomics-in-molecules-based quantum mechanical/molecular mechanical approach applied to the modeling of structures and spectra of mixed molecular clusters Arn(HCl)m and Arn(HF) m

Journal of Chemical Physics

Volumn 120, Issue 8, 2004, Pages 3732-3743

  Bochenkova, A V ^a   Suhm, M A ^b   Granovsky, A A ^a   Nemukhin, A V ^a  

^a MOSCOW STATE UNIVERSITY   (Russian Federation)

^b UNIVERSITY OF GÖTTINGEN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

AGGLOMERATION; ALGORITHMS; ARGON; CONFORMATIONS; FOURIER TRANSFORM INFRARED SPECTROSCOPY; GROUND STATE; HYDROGEN BONDS; HYDROGEN INORGANIC COMPOUNDS; OLIGOMERS; OPTIMIZATION; QUANTUM THEORY; RELAXATION PROCESSES; TOPOLOGY;

INTERACTION ENERGY; MATRIX SHIFTS;

MOLECULAR DYNAMICS;

EID: 1642617345     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1642596     Document Type: Article

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