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substituent effect

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5 results in Keywords: substituent effect

Organic Chemistry

Formation of Keteniminium Salts: Mechanistic Aspects and Substituent Effects

Zeynep Aktas, Gamze Tanriver, Pierre Quinodoz, Dylan Dagoneau, Amandine Kolleth, Alexandre Lumbroso, Sarah Sulzer-Mossé, Alain De Mesmaeker, Saron Catak

Version 1 posted 18 April 2022

414

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Organic Chemistry

Quantitative Mapping of Molecular Substituents to Macroscopic Properties Enables Predictive Design of Oligoethyleneglycol-Based Lithium Electrolytes

Bo Qiao, Somesh Mohapatra, Jeffrey Lopez, Graham Leverick, Ryoichi Tatara, Yoshiki Shibuya, Yivan Jiang, Arthur France-Lanord, Jeffrey C. Grossman, Rafael Gomez-Bombarelli, Jeremiah Johnson, Yang Shao-Horn

Version 1 posted 21 April 2020

615

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1

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Organic Chemistry

Machine learning determination of new Hammett's constants for meta- and para-substituted benzoic acid derivatives employing quantum chemical atomic charge methods

Gabriel Monteiro-de-Castro, Julio Cesar Duarte, Itamar Borges Jr.

Version 1 posted 23 February 2023

332

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1

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Organic Chemistry

On the N-Arylation of Acetamide Using 2-, 3- and 1’-Substituted Iodoferrocenes

Lingaswamy Kadari, William Erb, Yury S. Halauko, Oleg A. Ivashkevich, Vadim E. Matulis, Dmitry Lyakhov, Thierry Roisnel, Palakodety Radha Krishna, Florence Mongin

Version 1 posted 18 September 2020

422

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Boosting Palladium Catalyzed Aryl–Nitro Bond Activation Reaction by Understanding the Electronic, Electrostatic and Polarization Effect: A Computational Study from Basic Understanding to Ligand Design

Yumiao Ma, Zhaohong Wang

Version 2 posted 18 August 2021

464

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