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Real-time time-dependent density-functional theory

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Journal Articles

Exploring non-adiabaticity to CO reduction reaction through ab initio molecular dynamics simulation

Fan Zheng, Lin-wang Wang

Journal: APL Materials

APL Mater. 8, 041115 (2020)

https://doi.org/10.1063/5.0002318

Published: April 2020

View article titled, Exploring non-adiabaticity to CO reduction reaction through <em>ab initio</em> molecular dynamics simulation

Open the PDF for Exploring non-adiabaticity to CO reduction reaction through <em>ab initio</em> molecular dynamics simulation in another window

Includes: Supplementary data

Online ISSN 2166-532X

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