Ab initio explorative survey of the mechanism catalyzed by mandelate racemase

Journal of Molecular Structure: THEOCHEM

Volumn 390, Issue 1-3, 1997, Pages 217-223

  Alagona, Giuliano ^a   Ghio, Caterina ^a   Kollman, Peter A ^b  

^a CNR   (Italy)

^b UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

Ab initio SCF STO 3G, 3 21+G, 6 31G*; Lysine mandelate protonated histidine; NH3 mandelate NH+4; Proton transfer

Indexed keywords

EID: 0003345012     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(96)04777-X     Document Type: Article

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