A quantitative quantum-chemical analysis tool for the distribution of mechanical force in molecules

Journal of Chemical Physics

Volumn 140, Issue 13, 2014, Pages

  Stauch, Tim ^a   Dreuw, Andreas ^a  

^a UNIVERSITY OF HEIDELBERG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; DEGREES OF FREEDOM (MECHANICS); DIHEDRAL ANGLE; ISOMERIZATION; MOLECULAR DYNAMICS; MOLECULES; QUANTUM CHEMISTRY; REACTION KINETICS;

BORN-OPPENHEIMER MOLECULAR DYNAMICS; HARMONIC APPROXIMATION; MECHANOCHEMICAL PROCESS; QUANTUM CHEMICAL ANALYSIS; QUANTUM CHEMICAL CALCULATIONS; QUANTUM-CHEMICAL METHODS; RATE DETERMINING STEP; SONOCHEMICAL REACTIONS;

CHEMICAL ANALYSIS;

EID: 84898002203     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4870334     Document Type: Article

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