Mokshi Sharma
YOU?
Author Swipe
View article: Accuracy of Dft Quadrature Grids for the Computation of Quantum Anharmonic Vibrational Spectroscopy
Accuracy of Dft Quadrature Grids for the Computation of Quantum Anharmonic Vibrational Spectroscopy Open
View article: Electronic structure effects on the double proton transfer reactions: a case study for substituted formic acid dimer
Electronic structure effects on the double proton transfer reactions: a case study for substituted formic acid dimer Open
A comprehensive theoretical study to understand the changes in the electronic structures and their effects on promoter modes for double proton transfer reaction in bare and substituted formic acid dimer (FAD) is presented. In FAD, the dime…