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Organic Chemistry

Working Paper

Merging Rh-catalyzed C-H Functionalization and Cascade Cyclization to Enable Propargylic Alcohols as Three-Carbon Synthons: Experimental and Computational Investigations

Prajyot Nagtilak, Manoj Mane, Supreeth Prasad, Luigi Cavallo, Dean Tantillo, Manmohan Kapur

Version 2 posted 28 February 2022

1,056

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2

Citations

Organic Chemistry

Working Paper

Converting SMILES to Stacking Interaction Energies

Andrea N. Bootsma, Steven Wheeler

Version 1 posted 06 May 2019

556

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Theoretical and Computational Chemistry

Working Paper

Symmetry-Adapted Perturbation Theory Decomposition of the Reaction Force: Insights into Substituent Effects Involved in Hemiacetal Formation Mechanisms

Wallace Derricotte

Version 1 posted 22 July 2019

519

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Physical Chemistry

Working Paper

Charting Hydrogen Bond Anisotropy

Diogo Santos-Martins, Stefano Forli

Version 1 posted 15 July 2019

1,580

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Catalysis

Working Paper

Non-Covalent Interaction within Catalytic Anionic Donor and Neutral Acceptor to Promote Pd-Catalyzed Distal Site- selective Functionalization of Amines

Nupur Goswami, Soumya Kumar Sinha, Partha Mondal, Adhya Suresh, Ayan Datta, Debabrata Maiti

Version 1 posted 05 August 2022

682

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Catalysis

Working Paper

The Kinetic Stereocontrol in Brøsted Acid-catalyzed Pictet-Spengler Reaction and the Dynamic Epimerization Mechanism via Crystallization-induced Diastereomer Transformations

Liuqun Gu

Version 1 posted 08 August 2023

125

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Theoretical and Computational Chemistry

Working Paper

The Intermolecular Interactions of Pyrene and its Oxides in Toluene Solution

Nathanael J. King, Alex Brown

Version 2 posted 24 June 2022

349

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Organometallic Chemistry

Working Paper

Hydrogen Bonding Template Enables Remote meta-C-H Alkenylation of Nitroarenes

BISHAL DUTTA, Mayank Mahajan, Animesh Ghosh, Maciej Dajek, Rafal Kowalczyk, Bhaskar Mondal, Haibo Ge, Debabrata Maiti

Version 1 posted 15 November 2023

519

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Theoretical and Computational Chemistry

Working Paper

Independent gradient model based on Hirshfeld partition (IGMH): A new method for visual study of interactions in chemical systems

Tian Lu, Qinxue Chen

Version 2 posted 06 December 2021

2,080

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1

Citations

Theoretical and Computational Chemistry

Working Paper

Theoretical insight into complexation between cyclocarbons and C60 fullerene

Zeyu Liu, Tian Lu

Version 1 posted 25 April 2024

20

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11 results in Non-covalent interaction in Keywords: Non-covalent interaction

Merging Rh-catalyzed C-H Functionalization and Cascade Cyclization to Enable Propargylic Alcohols as Three-Carbon Synthons: Experimental and Computational Investigations

Converting SMILES to Stacking Interaction Energies

Symmetry-Adapted Perturbation Theory Decomposition of the Reaction Force: Insights into Substituent Effects Involved in Hemiacetal Formation Mechanisms

Charting Hydrogen Bond Anisotropy

Non-Covalent Interaction within Catalytic Anionic Donor and Neutral Acceptor to Promote Pd-Catalyzed Distal Site- selective Functionalization of Amines

The Kinetic Stereocontrol in Brøsted Acid-catalyzed Pictet-Spengler Reaction and the Dynamic Epimerization Mechanism via Crystallization-induced Diastereomer Transformations

The Intermolecular Interactions of Pyrene and its Oxides in Toluene Solution

Hydrogen Bonding Template Enables Remote meta-C-H Alkenylation of Nitroarenes

Independent gradient model based on Hirshfeld partition (IGMH): A new method for visual study of interactions in chemical systems

Theoretical insight into complexation between cyclocarbons and C60 fullerene

11 results in Keywords: Non-covalent interaction