Development of a hybrid quantum chemical and molecular mechanics method with application to solvent effects on the electronic spectra of uracil and uracil derivatives

Journal of Physical Chemistry A

Volumn 101, Issue 13, 1997, Pages 2478-2488

  Broo, Anders ^a   Pearl, Greg ^b   Zerner, Michael C ^b  

^a CHALMERS UNIVERSITY OF TECHNOLOGY   (Sweden)

^b UNIVERSITY OF FLORIDA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; COMPUTATIONAL METHODS; COMPUTER SIMULATION; DERIVATIVES; ELECTRON ENERGY LEVELS; ELECTRON SPECTROSCOPY; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; MONTE CARLO METHODS; QUANTUM THEORY; SOLVENTS;

CLASSICAL MECHANICAL HAMILTONIAN; DIMETHYLURACIL; MOLECULAR MECHANICS METHODS; QUANTUM CHEMICAL METHODS; QUANTUM MECHANICAL HAMILTONIAN; URACIL;

RNA;

EID: 0031098625     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp9629699     Document Type: Article

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