Pattanayak, Subrat Kumar

Structure, Dynamics and Hydrogen Bond Properties of N-Methylacetamide and its Aqueous Solution in Different Thermodynamic Conditions: A Molecular Dynamics Simulation Study (with CD) / by Subrat Kumar Pattanayak and S. Chowdhuri - Bhubaneswar : IIT, 2014. - xxv,193p. ill. ; 29 c.m.

This Thesis accompany CD ROM

--Dynamics and Hydrogen--Thermodynamic --Solvation structure--Self Diffusion coefficients--H - Bond properties--H - bond Structural relaxation

541.369 / PAT/S