Hybrid QM/MM simulations yield the ground and excited state pK(a) difference: Phenol in aqueous solution

Journal of the American Chemical Society

Volumn 118, Issue 20, 1996, Pages 4912-4913

  Gao, J ^a   Li, N ^a   Freindorf, M ^a  

^a UNIVERSITY AT BUFFALO   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

PHENOL;

ARTICLE; COMPUTER SIMULATION; DRUG STRUCTURE; MOLECULAR DYNAMICS;

EID: 0029885553     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja960021m     Document Type: Article

References (0)