Effects of urea on the aqueous solvation structure and dynamics of cis/trans-N-methylformamide: An insight from molecular dynamics simulation study
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 and Duffy models of urea with varying concentrations, ranging from 0 to 13.26 m. It is found that irrespective of urea models, the...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2024-06-01
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| Series: | Chemical Physics Impact |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2667022423002876 |