Anant D. Kulkarni, Dhurba Rai, Shridhar P. Gejji, Libero J. Bartolotti and Rajeev K. Pathak Structuring and destructuring effects along a pathway toward formation of zwitterionic glycine···(H2O)2 complex: many body analysis of clusters and molecular electrostatic potential investigations International Journal of Quantum Chemistry 113
This work demonstrates, at the molecular level, the process of zwitterion formation of glycine, induced by two approaching water molecules. The change from normal to zwitterionic configuration is traced through a local molecular electrostatic potential environment. Further, a many-body interaction analysis is performed to probe molecular cooperativity.
Complete the form below and we will send an e-mail message containing a link to the selected article on your behalf