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Molecular dynamics simulation of ion mobility in gases

A force field molecular dynamics method is developed to directly simulate ion drift in buffer gases driven by an electric field. The ion mobility and collision cross sections (CCSs) with relevance to ion mobility spectrometry can be obtained from the simulated drift velocity in high-density buffer g...

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Bibliografske podrobnosti
izdano v:J Chem Phys
Main Authors: Lai, Rui, Dodds, Eric D., Li, Hui
Format: Artigo
Jezik:Inglês
Izdano: AIP Publishing LLC 2018
Teme:
Online dostop:https://ncbi.nlm.nih.gov/pmc/articles/PMC5812742/
https://ncbi.nlm.nih.gov/pubmed/29448783
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.4998955
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