20 citations · 67 across the 7 of their papers we have counts for
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physics.chem-ph2022★ 13 cited
Correlation between structure and dynamics of CO confined in Mg-MOF-74 and the role of inter-crystalline space: A molecular dynamics simulation study
I. Dhiman, M. C. Berg, David R. Cole +1
Mg-MOF-74 is a metal-organic framework (MOF) that exhibits a high capacity for CO adsorption. Given the importance of CO confinement in Mg-MOF-74 for capture and storage ap…
physics.chem-ph2022★ 14 cited
Odd-even effect in n-alkane systems: A molecular dynamics study
I. Dhiman, Marcella C. Berg, Loukas Petridis +2
Alternation in various properties of n-alkanes (CnH2n+2) as a function of carbon content (n) is termed odd-even effect. Here, we report a comprehensive molecular dynamics simulatio…
physics.chem-ph2018★ 9 cited
Influence of molecular shape on self-diffusion under severe confinement: A molecular dynamics study
I. Dhiman, U. R. Shrestha, D. Bhowmik +2
We have investigated the effect of molecular shape and charge asymmetry on the translation dynamics of confined hydrocarbon molecules having different shapes but similar kinetic di…