Gold(I) - Heterocyclic Carbene hydration process; ab initio, DFT and QM/MM molecular dynamics study
Říha, Milan;Munzarová, Markéta;Burda, Jaroslav
Description
he supplementary part demonstrates convergence of two main solvation models: TIP3P and modified TIP3P water
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Publication Details
DOI
Publisher
AIP Publishing
Subfield
Organic Chemistry
Field
Chemistry
Domain
Physical Sciences
Confidence Score
47%
Source
Scholar Data Model
Keywords
Physical sciencesFOS: Physical sciences