Rapid quantum mechanical models for the computational estimation of C-H bond dissociation energies as a measure of metabolic stability.

Molecular pharmaceutics

Volumn 1, Issue 2, 2004, Pages 128-135

  Lewin, John L ^a   Cramer, Christopher J ^a  

^a University of Minnesota   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CARBON; HYDROCARBON;

ARTICLE; CHEMISTRY; DRUG STABILITY; HYDROGEN BOND; KINETICS; QUANTUM THEORY; THEORETICAL MODEL; THERMODYNAMICS;

CARBON; DRUG STABILITY; HYDROCARBONS; HYDROGEN BONDING; KINETICS; MODELS, THEORETICAL; QUANTUM THEORY; THERMODYNAMICS;

MLCS; MLOWN;

EID: 15744368675     PISSN: 15438384     EISSN: None     Source Type: Journal    
DOI: 10.1021/mp049977r     Document Type: Article

References (0)