Local intermolecular structure, hydrogen bonding and related dynamics in the liquid cis/trans N-methylformamide mixture: A density functional theory based Born …

I Skarmoutsos, RL Mancera, S Mossa… - Journal of Molecular …, 2022 - Elsevier
The local intermolecular structure and related dynamics in the liquid cis/trans N-
methylformamide mixture at ambient temperature and density conditions have been …

[HTML][HTML] Effects of urea on the aqueous solvation structure and dynamics of cis/trans-N-methylformamide: An insight from molecular dynamics simulation study

C Parida, P Chettiyankandy, A Chand… - Chemical Physics …, 2024 - Elsevier
We have performed classical molecular dynamics simulation of aqueous cis/trans-N-
methylformamide (NMF) systems in the presence of urea at 298 K by considering the Smith …

Hydrogen bonding structure and dynamics of cis-and trans-conformers of N-methylformamide in water, DMSO and water-DMSO mixtures at varying compositions

A Chand, P Chettiyankandy, R Ghosh, C Parida… - Journal of Molecular …, 2022 - Elsevier
The local hydrogen bonding structure and dynamics of cis-and trans-N-methylformamide
(NMF) in water, DMSO and in water–DMSO mixture is investigated by classical molecular …

[PDF][PDF] Statistical mechanics in theoretical chemistry in India: Past, present and a bit of future

A Chandra, B Bagchi - … of the Indian National Science Academy, 2020 - scholar.archive.org
While the subject of statistical mechanics is intensely active in physics departments across
India, with considerable activity even in mathematics departments, the same cannot be said …