Revisiting the free energy profile for the nucleophilic attack of hydroxide on formamide in aqueous solution

Chemical Physics Letters

Volumn 422, Issue 1-3, 2006, Pages 210-217

  Blumberger, Jochen ^a   Klein, Michael L ^a  

^a UNIVERSITY OF PENNSYLVANIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; COMPUTER SIMULATION; ENTHALPY; MOLECULAR DYNAMICS; NITROGEN COMPOUNDS; SAMPLING;

CAR-PARRINELLO MOLECULAR DYNAMICS; PSEUDOPOTENTIALS; UMBRELLA SAMPLING;

FREE ENERGY;

EID: 33646061949     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2006.02.035     Document Type: Article

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