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Teaching cyclopentadienyl how to leave: a case study of the [CpIr(COD)Br] complex

New journal of chemistry, 2022-04, Vol.46 (15), p.6847-6851

Chamkin, Aleksandr A

2022

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Benchmarking DFT Calculations of 1H and 13C Chemical Shifts in Monosubstituted Ferrocenes

International journal of quantum chemistry, 2021-02, Vol.121 (4), p.n/a

Chamkin, Aleksandr A.

2021

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A larger basis set describes atomization energy core-valence correction better than a higher-order coupled-cluster method

Physical chemistry chemical physics : PCCP, 2023-10, Vol.25 (4), p.27438-27447

2023

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DFT, DLPNO‐CCSD(T), and NEVPT2 benchmark study of the reaction between ferrocenium and trimethylphosphine

Journal of computational chemistry, 2020-10, Vol.41 (28), p.2388-2397

2020

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The flexibility of periphery enhances the electrochemical reversibility of ferrocenyl-terminated polyphenylene dendrimers

Polymer (Guilford), 2021-07, Vol.228, p.123929, Article 123929

2021

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“Click” Synthesis and Electrochemical Behavior of Ferrocenyl-Terminated Pyridylphenylene Dendrimers

Macromolecules, 2020-04, Vol.53 (7), p.2735-2743

2020

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Reactions of Ferrocenium Hexafluorophosphate with P−OR Nucleophiles Give Ring C−H Functionalization or Ring Replacement Products Depending on the Phosphorus Reagent

European journal of inorganic chemistry, 2021-04, Vol.2021 (16), p.1601-1610

2021

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Synthesis and electrochemical behaviour of rigid ferrocenyl-terminated pyridylphenylene dendrimers

Polymer (Guilford), 2019-05, Vol.173, p.34-42

2019

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From a humorous post to a detailed quantum-chemical study: isocyanate synthesis revisited

Physical chemistry chemical physics : PCCP, 2024-05, Vol.26 (18), p.1385-13861

2024

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Direct Phosphination of Ferrocenium Ion with Tertiary Phosphines by the Mechanism of Oxidative Nucleophilic Substitution

European journal of inorganic chemistry, 2018-11, Vol.2018 (40), p.4494-4504

2018

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Benchmarking DFT Calculations of 1 H and 13 C Chemical Shifts in Monosubstituted Ferrocenes

International journal of quantum chemistry, 2021-02, Vol.121 (4)

Chamkin, Aleksandr A.

2021

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Assessment of the applicability of DFT methods to [CpRh]‐catalyzed hydrogen evolution processes

Journal of computational chemistry, 2024-07

2024

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Assessment of the applicability of DFT methods to CpRh-catalyzed hydrogen evolution processes

Journal of computational chemistry, 2024-07

2024

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Revisiting exo–endo isomerization of transition metal half-sandwich η3–allyl complexes

Journal of organometallic chemistry, 2021-12, Vol.954-955, p.122076, Article 122076

2021

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Rotation of the η3‐Propargyl Ligand in [(C6Me5H)M(CO)2(η3‐C3H3)]+ (M=Cr, Mo, W) Complexes

ChemistrySelect (Weinheim), 2023-06, Vol.8 (24), p.n/a

2023

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Rotation of the η 3 ‐Propargyl Ligand in [(C 6 Me 5 H)M(CO) 2 (η 3 ‐C 3 H 3 )] + (M=Cr, Mo, W) Complexes

ChemistrySelect (Weinheim), 2023-06, Vol.8 (24)

2023

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Teaching cyclopentadienyl how to leave: a case study of the [CpIr(COD)Br] complex

Benchmarking DFT Calculations of 1H and 13C Chemical Shifts in Monosubstituted Ferrocenes

A larger basis set describes atomization energy core-valence correction better than a higher-order coupled-cluster method

DFT, DLPNO‐CCSD(T), and NEVPT2 benchmark study of the reaction between ferrocenium and trimethylphosphine

The flexibility of periphery enhances the electrochemical reversibility of ferrocenyl-terminated polyphenylene dendrimers

“Click” Synthesis and Electrochemical Behavior of Ferrocenyl-Terminated Pyridylphenylene Dendrimers

Reactions of Ferrocenium Hexafluorophosphate with P−OR Nucleophiles Give Ring C−H Functionalization or Ring Replacement Products Depending on the Phosphorus Reagent

Synthesis and electrochemical behaviour of rigid ferrocenyl-terminated pyridylphenylene dendrimers

From a humorous post to a detailed quantum-chemical study: isocyanate synthesis revisited

Direct Phosphination of Ferrocenium Ion with Tertiary Phosphines by the Mechanism of Oxidative Nucleophilic Substitution

Benchmarking DFT Calculations of 1 H and 13 C Chemical Shifts in Monosubstituted Ferrocenes

Assessment of the applicability of DFT methods to [CpRh]‐catalyzed hydrogen evolution processes

Assessment of the applicability of DFT methods to CpRh-catalyzed hydrogen evolution processes

Revisiting exo–endo isomerization of transition metal half-sandwich η3–allyl complexes

Rotation of the η3‐Propargyl Ligand in [(C6Me5H)M(CO)2(η3‐C3H3)]+ (M=Cr, Mo, W) Complexes

Rotation of the η 3 ‐Propargyl Ligand in [(C 6 Me 5 H)M(CO) 2 (η 3 ‐C 3 H 3 )] + (M=Cr, Mo, W) Complexes

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