Ab initio Molecular Dynamics Simulation Study of Dissociation Electron Attachment to Lactic Acid and Isomer

Dissociation processes of lactic acid and its isomer formed by low-energy dissociation electron attachment (DEA) in the gas phase are investigated by using ab initio molecular dynamics (MD) simulations. The ab initio MD simulations using an atom-centered density matrix propagation (ADMP) method are...

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Bibliographic Details
Published in:Sci Rep
Main Authors: Zhang, Ying, Xu, Zhongfeng, Zhao, Yongtao, Zhang, Xiaoan
Format: Artigo
Language:Inglês
Published: Nature Publishing Group UK 2019
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Article
Online Access:https://ncbi.nlm.nih.gov/pmc/articles/PMC6925224/
https://ncbi.nlm.nih.gov/pubmed/31862917
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41598-019-56019-4
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