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An acylation‐Finkelstein approach to radioiodination of bioactives: The role of amide group anchimeric assistance
Wiley | 2018|Keywords: DFT mechanism -
Spontaneous trans‐Selective Transfer Hydrogenation of Apolar Boron–Boron Double Bonds
Wiley | 2019|Keywords: DFT mechanism -
Palladium supported aminobenzamide modified silica coated superparamagnetic iron oxide as an applicable nanocatalyst for Heck cross-coupling reaction
Elsevier | 2021|Keywords: DFT mechanism calculation -
Mechanism, ab initio calculations and microkinetics of straight-chain alcohol, ether, ester, aldehyde and carboxylic acid hydrodeoxygenation over Ni-Mo catalyst
Elsevier | 2018|Keywords: DFT mechanism -
Synthesis, spectroscopic characterization and DFT study of dinuclear ruthenium sawhorse-type complexes derived from the reaction of trinuclear aggregates and (Z)-5-arylidenerhodanines
Taylor & Francis Verlag | 2016|Keywords: DFT-mechanism -
Mechanistic Studies of Oxygen-Atom Transfer (OAT) in the Homogeneous Conversion of N2O by Ru Pincer Complexes
Free accessDOAJ | 2022|Keywords: DFT mechanism -
Reactivity and Mechanism of Photo- and Electrocatalytic Hydrogen Evolution by a Diimine Copper(I) Complex
Free accessDOAJ | 2020|Keywords: DFT mechanism -
Bifluoride Ion Catalyzed Late-Stage SuFEx Trifluoromethylation of Sulfonyl Fluorides and Iminosulfur Oxydifluorides
Free accessChemRxiv | 2018|Keywords: DFT mechanism -
Synthesis, spectroscopic characterization and DFT study of dinuclear ruthenium sawhorse-type complexes derived from the reaction of trinuclear aggregates and (Z)-5-arylidenerhodanines
Online Contents | 2016|Keywords: DFT-mechanism -
STUDIUL TEORETIC AL DESCOMPUNERII PEROXIDULUI DE HIDROGEN CU COMPLECŞI DINUCLEARI AI MANGANULUI
Free accessDOAJ | 2016|Keywords: modeling, DFT, mechanism, hydrogen peroxide, catalase, dinuclear complexes, transition states -
Microkinetic modelling in computational homogeneous catalysis and beyond
Springer Verlag | 2023|Keywords: DFT mechanism
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