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Catalysis

Working Paper

Mechanisms and Site Selectivity of (Het)Ar–X Oxidative Addition to Pd(0) Are Controlled by Frontier Molecular Orbital Symmetry

Jingru Lu, Nathan Schley, Irina Paci, David Leitch

Version 1 posted 01 April 2024

227

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Theoretical and Computational Chemistry

Working Paper

Accelerated Molecular Dynamics for Structural Prediction in Protein/Peptide Binding: The SLICE Method

James McFarlane, Katherine Krause, Irina Paci

Version 1 posted 20 June 2019

665

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1

Citations

Inorganic Chemistry

Working Paper

Gas-Phase Oxidation of Reactive Organometallic Ions

Anuj Joshi, Sofia Donnecke, Ori Granot, Dongju Shin, Scott Collins, Irina Paci, J Scott McIndoe

Version 1 posted 28 February 2020

385

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Inorganic Chemistry

Working Paper

Trichloro(Dinitrogen)platinate(II)

Gilian T. Thomas, Sofia Donnecke, Irina Paci, J Scott McIndoe

Version 1 posted 27 May 2020

486

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Chemical Engineering and Industrial Chemistry

Working Paper

Dielectric metal/metal oxide nanocomposites: modeling response properties at multiple scales

Brett Henderson, Archita Adluri, Irina Paci

Version 3 posted 22 May 2023

318

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Organometallic Chemistry

Working Paper

A reactivity map for oxidative addition enables quantitative predictions for multiple catalytic reaction classes

Jingru Lu, Sofia Donnecke, Irina Paci, David Leitch

Version 2 posted 26 August 2021

1,143

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Organometallic Chemistry

Working Paper

Mechanistic study of the atomic layer deposition of cobalt: A combined mass spectrometric and computational approach

Sofia Donnecke, Mathias Paul, Serena Chan, Veronica Tse, Jigyasa Sachdeva, Peter J. H. Williams, Allen G. Oliver, Irina Paci, J. Scott McIndoe

Version 4 posted 16 October 2023

422

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Theoretical and Computational Chemistry

Working Paper

Tuning the Dielectric Response in a Nanocomposite Material through Nanoparticle Morphology

Archita Adluri, Brett Henderson, Irina Paci

Version 1 posted 20 September 2021

167

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Biological and Medicinal Chemistry

Working Paper

Pan-Specific and Partially Selective Dye-Labeled Peptidic Inhibitors of the Polycomb Paralog Proteins

Natalia Milosevich, James McFarlane, Michael Gignac, Janessa Li, Tyler Brown, Chelsea Wilson, Lindsay Devorkin, Caitlin Croft, Rebecca Hof, Irina Paci, Julian Lum, Fraser Hof

Version 1 posted 15 July 2019

658

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Organic Chemistry

Working Paper

A generally applicable quantitative reactivity model for nucleophilic aromatic substitution built from simple descriptors

Jingru Lu, Irina Paci, David Leitch

Version 1 posted 19 July 2022

768

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12 results in Irina Paci in Authors: Irina Paci

Mechanisms and Site Selectivity of (Het)Ar–X Oxidative Addition to Pd(0) Are Controlled by Frontier Molecular Orbital Symmetry

Accelerated Molecular Dynamics for Structural Prediction in Protein/Peptide Binding: The SLICE Method

Gas-Phase Oxidation of Reactive Organometallic Ions

Trichloro(Dinitrogen)platinate(II)

Dielectric metal/metal oxide nanocomposites: modeling response properties at multiple scales

A reactivity map for oxidative addition enables quantitative predictions for multiple catalytic reaction classes

Mechanistic study of the atomic layer deposition of cobalt: A combined mass spectrometric and computational approach

Tuning the Dielectric Response in a Nanocomposite Material through Nanoparticle Morphology

Pan-Specific and Partially Selective Dye-Labeled Peptidic Inhibitors of the Polycomb Paralog Proteins

A generally applicable quantitative reactivity model for nucleophilic aromatic substitution built from simple descriptors

12 results in Authors: Irina Paci