Ionic Dynamics and Vibrational Spectral Diffusion of a Protic Alkylammonium Ionic Salt through Intrinsic Cationic N–H Vibrational Probe from FPMD Simulations

A Biswas, BS Mallik - The Journal of Physical Chemistry A, 2022 - ACS Publications
We employed density functional theory (DFT)-based molecular dynamics simulations to
explore the structure, dynamics, and spectral properties of the protic ionic entity …
被引用次数：2 相关文章

Ionic Dynamics and Vibrational Spectral Diffusion of a Protic Alkylammonium Ionic Salt through Intrinsic Cationic NH Vibrational Probe from FPMD Simulations

A Biswas, BS Mallik - The journal of physical chemistry. A, 2022 - pubmed.ncbi.nlm.nih.gov
We employed density functional theory (DFT)-based molecular dynamics simulations to
explore the structure, dynamics, and spectral properties of the protic ionic entity …

Ionic Dynamics and Vibrational Spectral Diffusion of a Protic Alkylammonium Ionic Salt through Intrinsic Cationic NH Vibrational Probe from FPMD Simulations.

A Biswas, BS Mallik - The Journal of Physical chemistry. A, 2022 - europepmc.org
We employed density functional theory (DFT)-based molecular dynamics simulations to
explore the structure, dynamics, and spectral properties of the protic ionic entity …

[引用][C] Ionic Dynamics and Vibrational Spectral Diffusion of a Protic Alkylammonium Ionic Salt through Intrinsic Cationic N–H Vibrational Probe from FPMD Simulations

A Biswas, BS Mallik - Journal of Physical Chemistry A, 2022 - ui.adsabs.harvard.edu
Ionic Dynamics and Vibrational Spectral Diffusion of a Protic Alkylammonium Ionic Salt through
Intrinsic Cationic N–H Vibrational Probe from FPMD Simulations - NASA/ADS Now on home …