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Theoretical Chemistry Accounts

Volumn 103, Issue 6, 2000, Pages 483-494

Computation of the influence of chemical substitution on the pKa of pyridine using semiempirical and ab initio methods

(2) Chen, I Jen a Mackerell Jr , Alexander D a

a UNIVERSITY OF MARYLAND SCHOOL OF PHARMACY (United States)

Author keywords

Ab initio; Pka; Pyridine; Quantum mechanical; Semiempirical

Indexed keywords

EID: 84962346066 PISSN: 1432881X EISSN: None Source Type: Journal
DOI: 10.1007/s002149900082 Document Type: Article

Times cited : (48)

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