A detailed theoretical DFT study of the hydrolysis mechanism of orally active anticancer drug ZD0473

Chemical Physics Letters

Volumn 487, Issue 1-3, 2010, Pages 108-115

  Banerjee, Snehasis ^a,c   Sengupta, Partha Sarathi ^b   Mukherjee, Asok K ^c  

^a DARJEELING GOVERNMENT COLLEGE   (India)

^b Vivekananda Mahavidyalaya ^*  (India)

^c UNIVERSITY OF BURDWAN   (India)

Author keywords

[No Author keywords available]

Indexed keywords

2-PICOLINE; ANTICANCER DRUG; BASIS SETS; CONTINUUM MODEL; DFT STUDY; EXPLICIT WATER; ORALLY ACTIVE; PENTACOORDINATED; RATE-LIMITING PROCESS; REACTION SURFACES; SINGLE-POINT ENERGY; SOLVATION ENERGY; STATIONARY POINTS; THIRD GENERATION; TRANSITION STATE;

CONTINUUM MECHANICS; HYDROLYSIS; PLATINUM; QUANTUM CHEMISTRY; RATE CONSTANTS; SURFACE REACTIONS;

DENSITY FUNCTIONAL THEORY;

EID: 76049126747     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2010.01.001     Document Type: Article

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