Vibrational spectroscopic analysis of cyanopyrazine-2-carboxamide derivatives and investigation of their reactive properties by DFT calculations and molecular dynamics simulations

Vibrational spectroscopic analysis of cyanopyrazine-2-carboxamide derivatives and investigation of their reactive properties by DFT calculations and molecular dynamics simulations

Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure - Volume 1131, 5 March 2017, Pages 1-15

Shargina Beegum, Y. Sheena Mary, Hema Tresa Varghese, C. Yohannan Panicker, Stevan Armaković, Sanja J. Armaković, Jan Zitko, Martin Dolezal, C. Van Alsenoy,