Home

obrana Mokřad Koridor sdd basis set palladium Časové řady krb federace

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

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

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)

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 ...

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

Colour online) (a) Variation in IP with number of atoms in palladium... |  Download Scientific Diagram
Colour online) (a) Variation in IP with number of atoms in palladium... | Download Scientific Diagram

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

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

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

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

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

Revised Basis Sets for the LANL Effective Core Potentials. | Semantic  Scholar
Revised Basis Sets for the LANL Effective Core Potentials. | Semantic Scholar

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

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)

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)

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

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-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)

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) A DFT/ECP-Small Basis Set Modelling of Cisplatin: Molecular Structure  and Vibrational Spectrum | Nicolay Dodoff - Academia.edu
PDF) A DFT/ECP-Small Basis Set Modelling of Cisplatin: Molecular Structure and Vibrational Spectrum | Nicolay Dodoff - Academia.edu

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-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

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

Supporting Information
Supporting Information