Do Electrostatics Control the Diffusive Dynamics of Solitary Water? NMR and MD Studies of Water Translation and Rotation in Dipolar and Ionic Solvents
K Mukherjee, S Palchowdhury… - The Journal of Physical …, 2024 - ACS Publications
NMR-based measurements of the diffusion coefficients and rotation times of solitary water
and benzene at 300 K are reported in a diverse collection of 13 conventional organic …
and benzene at 300 K are reported in a diverse collection of 13 conventional organic …
Confinement Effects on Reorientation Dynamics of Water Confined within Graphite Nanoslits
CW Wang, YW Kuo, JR Zeng, PH Tang… - The Journal of Physical …, 2024 - ACS Publications
Molecular dynamics simulations were used to investigate the reorientation dynamics of
water confined within graphite nanoslits of size less than 2 nm, where molecules formed …
water confined within graphite nanoslits of size less than 2 nm, where molecules formed …
Recasting the wobbling-in-a-cone model for the rotational anisotropy of phenylselenocyanate in poly (methyl methacrylate): Effect of internal bond rotation and …
The rotational anisotropy of a molecule in a constrained environment is modeled by
wobbling-in-a-cone (WIAC) motion, which describes the angular space sampled by the …
wobbling-in-a-cone (WIAC) motion, which describes the angular space sampled by the …