Computational insights into the catalytic role of the base promoters in ester hydrogenation with homogeneous non-pincer-based Mn-P,N catalyst

标题
Computational insights into the catalytic role of the base promoters in ester hydrogenation with homogeneous non-pincer-based Mn-P,N catalyst
作者
关键词
Ester reduction, DFT calculations, Ab initio thermodynamic analysis, Catalyst deactivation, Homogeneous catalysis, Reaction mechanism, Multifunctional catalysis
出版物
JOURNAL OF CATALYSIS
Volume 363, Issue -, Pages 136-143
出版商
Elsevier BV
发表日期
2018-05-24
DOI
10.1016/j.jcat.2018.04.018

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