Title of article :
A comparison of l- and d-Asp and Asn α-radicals a case study for atropisomerism
Author/Authors :
Veronika A. Gerlei، نويسنده , , Klلra Z. and Yarligan Uysal، نويسنده , , Selma، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2014
Abstract :
Asp radical has enantiomeric d and l form, due to axis chirality. This pair of degenerate minima is occurring on a single 4D-Ramachandran Potential Energy Hyper Surface (PEHS). The βD and βL radicals are interconverted on a pair of enantiotopic paths of the 4D-PEHS each of which has a lower and a higher transition state. These barriers are always higher for the Asp in comparison to those of the Asn radical.
Keywords :
Ab initio quantum chemistry , Kinetic and thermodynamic stability of Asp radical , Asp radical Ramachandran surface , Axis chirality
Journal title :
Computational and Theoretical Chemistry
Journal title :
Computational and Theoretical Chemistry
