Theoretical investigation (DFT and MP2) of the intermolecular proton transfer in the supersystems uracil-(H2O) n and uracil-(CH3OH) n (n = 1, 2)

Monatshefte fur Chemie

Volumn 139, Issue 4, 2008, Pages 349-362

  Delchev, Vassil B ^a   Shterev, Ivan G ^b   Mikosch, Hans ^c  

^a UNIVERSITY OF PLOVDIV   (Bulgaria)

^b UNIVERSITY OF FOOD TECHNOLOGIES   (Bulgaria)

^c VIENNA UNIVERSITY OF TECHNOLOGY   (Austria)

Author keywords

DFT calculations; Energy barriers; H Bonding; MP2 calculations; Uracil

Indexed keywords

EID: 43349084898     PISSN: 00269247     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00706-007-0831-y     Document Type: Article

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