Energetic and dynamic aspects of intramolecular proton transfer in 4-methyl-2,6-diformylphenol: A detailed analysis with AM1 potential energy surfaces

Journal of Physical Chemistry A

Volumn 101, Issue 3, 1997, Pages 293-298

  Mitra, S ^a   Das, R ^a   Bhattacharyya, S P ^a   Mukherjee, S ^a  

^a DEPARTMENT OF MATERIALS SCIENCE   (India)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; DYNAMICS; ELECTRON ENERGY LEVELS; ELECTRON TUNNELING; MOLECULES; PHENOLS;

CONFIGURATION INTERACTION METHOD; ENERGETICS; EXCITED STATE PROTON TRANSFER (ESPT); FOURIER GRID HAMILTONIAN (FGH) FRAMEWORK; POTENTIAL ENERGY SURFACES;

PROTONS;

EID: 0030836254     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp961560g     Document Type: Article

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