Okysličovat rozhodni se flexibilní sdd basis set palladium přednost kámen labuť
Palladium-catalyzed C–H activation of anisole with electron-deficient auxiliary ligands: a mechanistic investigation - Organic & Biomolecular Chemistry (RSC Publishing)
Dispersion-Corrected Density Functional for the Correct Description on Regioselectivity Trends in Heck-Mizoroki Reaction Catalyz
Theoretical Calculations on the Mechanism of Hydrogenation of Diphenylacetylene over Pdn (n = 1-4) Clusters
Assessment of B3LYP combined with various ECP basis sets for systems containing Pd, Sn, and Pb - ScienceDirect
Ab initio and density functional theory studies on vibrational spectra of palladium (II) and platinum (II) complexes of methionine and histidine: effect of theoretical methods and basis sets - ScienceDirect
PDF) Structural and electronic properties of nanoparticle: density functional study of small palladium clusters (pdn n=1-6)
CRYSTAL AND MOLECULAR STRUCTURE OF A NEW PALLADIUM(II) COMPLEX WITH A COUMARIN-VALINE DERIVATE INTRODUCTION
The First General and Selective Palladium(II)‐Catalyzed Alkoxycarbonylation of Arylboronates: Interplay among Benzoquinone‐Ligated Palladium(0) Complex, Organoboron, and Alcohol Solvent - Yamamoto - 2010 - Advanced Synthesis & Catalysis - Wiley ...
Theoretical Calculations on the Mechanism of Hydrogenation of Diphenylacetylene over Pdn (n = 1-4) Clusters
PDF) A DFT/ECP-Small Basis Set Modelling of Cisplatin: Molecular Structure and Vibrational Spectrum | Nicolay Dodoff - Academia.edu
Supporting Information
Enthalpy diagram for the P-C coupling reaction of bromobenzene with... | Download Scientific Diagram
Palladium-catalyzed microwave-assisted Hirao reaction utilizing the excess of the diarylphosphine oxide reagent as the P-ligand; a study on the activity and formation of the “PdP2” catalyst in: Pure and Applied Chemistry Volume
A DFT/ECP-Small Basis Set Modelling of Cisplatin: Molecular Structure and Vibrational Spectrum
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Supporting Information
Electronic infrared light absorption of a tri-palladium complex containing two π-expanded tetracene ligands - Chemical Science (RSC Publishing)
Revised Basis Sets for the LANL Effective Core Potentials. | Semantic Scholar
Catalysts | Free Full-Text | A Theoretical Study on Pd-catalyzed, Friedel-Crafts Intermolecular Acylation: Does Generated In Situ Aroyl Triflate Act as A Reactive Electrophile to Functionalize C–H Bond of Arenes? | HTML
Palladium-catalyzed microwave-assisted Hirao reaction utilizing the excess of the diarylphosphine oxide reagent as the P-ligand; a study on the activity and formation of the “PdP2” catalyst in: Pure and Applied Chemistry Volume
Palladium-catalysed methoxycarbonylation of ethene with bidentate diphosphine ligands: a density functional theory study - Physical Chemistry Chemical Physics (RSC Publishing)
Mechanisms of Csp3-H functionalization of acetonitrile or acetone with coumarins: A DFT investigation - Mol. Catal. - X-MOL
Catalysts | Free Full-Text | In Silico Switch from Second- to First-Row Transition Metals in Olefin Metathesis: From Ru to Fe and from Rh to Co | HTML
Palladium-catalyzed microwave-assisted Hirao reaction utilizing the excess of the diarylphosphine oxide reagent as the P-ligand; a study on the activity and formation of the “PdP2” catalyst in: Pure and Applied Chemistry Volume
Palladium(II) complexes with R2edda-derived ligands. Part V. Reaction of O,O′-diethyl-( S,S)-ethylenediamine- N,N′-di-2-(3-methyl)butanoate with K2[PdCl4] | SpringerLink