Dynamics with Explicit Solvation Reveals Formation of the Prereactive Dimer as Sole Determining Factor for the Efficiency of Ru(bda)L2 Catalysts
Author(s) -
Shaoqi Zhan,
Rongfeng Zou,
Mårten S. G. Ahlquist
Publication year - 2018
Publication title -
acs catalysis
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 4.898
H-Index - 198
ISSN - 2155-5435
DOI - 10.1021/acscatal.8b02519
Subject(s) - chemistry , dimer , catalysis , solvation , monomer , ligand (biochemistry) , isoquinoline , solvent , reaction rate constant , binding energy , computational chemistry , crystallography , polymer chemistry , medicinal chemistry , kinetics , organic chemistry , polymer , biochemistry , physics , receptor , quantum mechanics , nuclear physics
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