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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

465

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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

679

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Organic Chemistry

Working Paper

Converting SMILES to Stacking Interaction Energies

Andrea N. Bootsma, Steven Wheeler

Version 1 posted 06 May 2019

614

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Physical Chemistry

Working Paper

Charting Hydrogen Bond Anisotropy

Diogo Santos-Martins, Stefano Forli

Version 1 posted 15 July 2019

1,654

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Biological and Medicinal Chemistry

Working Paper

Resolving the Dynamic Non-Covalent Interaction inside Membrane Protein Channel by Single-Molecule Interaction Spectrum

Meng-Yin Li, Yi-Lun Ying, Xi-Xin Fu, Jie Yu, Shao-Chuang Liu, Ya-Qian Wang, Shuang Li, Chan Cao, Yong-Jing Wan, Yi-Tao Long

Version 1 posted 25 October 2018

866

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4

Citations

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

545

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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

757

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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

1,147

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2

Citations

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

2,848

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1

Citations

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

169

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

The Intermolecular Interactions of Pyrene and its Oxides in Toluene Solution

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

Converting SMILES to Stacking Interaction Energies

Charting Hydrogen Bond Anisotropy

Resolving the Dynamic Non-Covalent Interaction inside Membrane Protein Channel by Single-Molecule Interaction Spectrum

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

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

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

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

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

11 results in Keywords: Non-covalent interaction