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Ztlumit Slzy odstranit sdd basis set palladium náhled prádlo Méně důležitý

Palladium-catalyzed C–H activation of anisole with electron-deficient  auxiliary ligands: a mechanistic investigation - Organic & Biomolecular  Chemistry (RSC Publishing)
Palladium-catalyzed C–H activation of anisole with electron-deficient auxiliary ligands: a mechanistic investigation - Organic & Biomolecular Chemistry (RSC Publishing)

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Palladium-catalyzed C–H activation of anisole with electron-deficient  auxiliary ligands: a mechanistic investigation - Organic & Biomolecular  Chemistry (RSC Publishing)
Palladium-catalyzed C–H activation of anisole with electron-deficient auxiliary ligands: a mechanistic investigation - Organic & Biomolecular Chemistry (RSC Publishing)

Palladium-catalysed methoxycarbonylation of ethene with bidentate  diphosphine ligands: a density functional theory study - Physical Chemistry  Chemical Physics (RSC Publishing)
Palladium-catalysed methoxycarbonylation of ethene with bidentate diphosphine ligands: a density functional theory study - Physical Chemistry Chemical Physics (RSC Publishing)

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
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

Mechanisms for C(sp2)–Si activation of aryltrimethylsilyl groups in  palladium-catalysed couplings - Organic & Biomolecular Chemistry (RSC  Publishing)
Mechanisms for C(sp2)–Si activation of aryltrimethylsilyl groups in palladium-catalysed couplings - Organic & Biomolecular Chemistry (RSC Publishing)

CRYSTAL AND MOLECULAR STRUCTURE OF A NEW PALLADIUM(II) COMPLEX WITH A  COUMARIN-VALINE DERIVATE INTRODUCTION
CRYSTAL AND MOLECULAR STRUCTURE OF A NEW PALLADIUM(II) COMPLEX WITH A COUMARIN-VALINE DERIVATE INTRODUCTION

Switching the nature of catalytic centers in Pd/NHC systems by solvent  effect driven non‐classical R‐NHC Coupling - Gordeev - 2019 - Journal of  Computational Chemistry - Wiley Online Library
Switching the nature of catalytic centers in Pd/NHC systems by solvent effect driven non‐classical R‐NHC Coupling - Gordeev - 2019 - Journal of Computational Chemistry - Wiley Online Library

PDF) Structural and electronic properties of nanoparticle: density  functional study of small palladium clusters (pdn n=1-6)
PDF) Structural and electronic properties of nanoparticle: density functional study of small palladium clusters (pdn n=1-6)

Theoretical Calculations on the Mechanism of Hydrogenation of  Diphenylacetylene over Pdn (n = 1-4) Clusters
Theoretical Calculations on the Mechanism of Hydrogenation of Diphenylacetylene over Pdn (n = 1-4) Clusters

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
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

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 ...
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 ...

Mechanisms of Csp3-H functionalization of acetonitrile or acetone with  coumarins: A DFT investigation - Mol. Catal. - X-MOL
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
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

Oligomeric allyl-palladium(ii) complexes of β-substituted ethylselenolates:  Syntheses, structures and thermal decomposition - Dalton Transactions (RSC  Publishing)
Oligomeric allyl-palladium(ii) complexes of β-substituted ethylselenolates: Syntheses, structures and thermal decomposition - Dalton Transactions (RSC Publishing)

Assessment of B3LYP combined with various ECP basis sets for systems  containing Pd, Sn, and Pb - ScienceDirect
Assessment of B3LYP combined with various ECP basis sets for systems containing Pd, Sn, and Pb - ScienceDirect

Palladium (II) complex: Synthesis, spectroscopic studies and DFT  calculations - ScienceDirect
Palladium (II) complex: Synthesis, spectroscopic studies and DFT calculations - ScienceDirect

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-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

On the ligand-free palladium cluster catalysed Suzuki–Miyaura reaction -  Physical Chemistry Chemical Physics (RSC Publishing)
On the ligand-free palladium cluster catalysed Suzuki–Miyaura reaction - Physical Chemistry Chemical Physics (RSC Publishing)

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-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

Theoretical Calculations on the Mechanism of Hydrogenation of  Diphenylacetylene over Pdn (n = 1-4) Clusters
Theoretical Calculations on the Mechanism of Hydrogenation of Diphenylacetylene over Pdn (n = 1-4) Clusters

A DFT/ECP-Small Basis Set Modelling of Cisplatin: Molecular Structure and  Vibrational Spectrum
A DFT/ECP-Small Basis Set Modelling of Cisplatin: Molecular Structure and Vibrational Spectrum

Method and basis set investigation for trans-platinum(II) oxime complex  Koray SAYIN1*, Duran KARAKAŞ2
Method and basis set investigation for trans-platinum(II) oxime complex Koray SAYIN1*, Duran KARAKAŞ2

Benzylic Complexes of Palladium(II): Bonding modes and Penta coordination  for Steric Relief
Benzylic Complexes of Palladium(II): Bonding modes and Penta coordination for Steric Relief

Things to ask Robert –
Things to ask Robert –

Method and basis set investigation for trans-platinum(II) oxime complex  Koray SAYIN1*, Duran KARAKAŞ2
Method and basis set investigation for trans-platinum(II) oxime complex Koray SAYIN1*, Duran KARAKAŞ2