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Chemistry

Working Paper

Unraveling the Bürgi-Dunitz Angle with Precision: The Power of a Two-Dimensional Energy Decomposition Analysis

Israel Fernández, F. Matthias Bickelhaupt, Dennis Svatunek

Version 1 posted 16 August 2023

154

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Chemistry

Working Paper

Computational Strategies to Probe CH Activation in Dioxo-Dicopper Complexes

Zhenzhuo Lan, Shaama Mallikarjun Sharada

Version 1 posted 22 August 2018

402

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Chemistry

Working Paper

Reply to “On the existence of collective interactions”

Vojtech Sadek, Shahin Sowlati-Hashjin, SeyedAbdolreza Sadjadi, Mikko Karttunen, Angel Martin-Pendas, Cina Foroutan-Nejad

Version 1 posted 30 January 2023

182

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Chemistry

Working Paper

On the existence of collective interactions

Jordi Poater, Pascal Vermeeren, Trevor A. Hamlin, F. Matthias Bickelhaupt, Miquel Solà

Version 1 posted 01 December 2022

138

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Chemistry

Review

A Fluctuating Density Energy Model for RNA Nucleobase Interactions

Christopher Myers, Alan Chen

Version 1 posted 23 March 2023

100

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Chemistry

Working Paper

Computational Analysis of Electron Transfer Kinetics for CO2 Reduction with Organic Photoredox Catalysts

Kareesa Kron, Samantha Gomez, Robert Cave, Shaama Mallikarjun Sharada

Version 1 posted 05 March 2020

516

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Chemistry

Working Paper

How do NMR coupling constants correlate with σ-donation in NHCs and their derivatives?

Radhika Gupta, Gilles Frison

Version 1 posted 25 April 2023

66

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Chemistry

Working Paper

Linear Free Energy Relationships for Transition Metal Complex Chemistry: Opportunity or Pipe Dream?

Zhenzhuo Lan, Shaama Mallikarjun Sharada

Version 1 posted 29 November 2019

2,453

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Chemistry

Working Paper

Path-Dependency of Energy Decomposition Analysis & the Elusive Nature of Bonding

Jordi Poater, Diego M. Andrada, Miquel Sola, Cina Foroutan-Nejad

Version 1 posted 16 September 2021

286

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Chemistry

Working Paper

Nickel-Catalyzed Anti-Markovnikov Hydroarylation of Unactivated Alkenes with Unactivated Arenes Facilitated by non-Covalent Interactions

Noam Saper, Akito Ohgi, David Small, Kazuhiko Semba, Yoshiaki Nakao, John Hartwig

Version 3 posted 03 July 2019

2,111

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18 results in Energy Decomposition Analysis in Keywords: Energy Decomposition Analysis

Unraveling the Bürgi-Dunitz Angle with Precision: The Power of a Two-Dimensional Energy Decomposition Analysis

Computational Strategies to Probe CH Activation in Dioxo-Dicopper Complexes

Reply to “On the existence of collective interactions”

On the existence of collective interactions

A Fluctuating Density Energy Model for RNA Nucleobase Interactions

Computational Analysis of Electron Transfer Kinetics for CO2 Reduction with Organic Photoredox Catalysts

How do NMR coupling constants correlate with σ-donation in NHCs and their derivatives?

Linear Free Energy Relationships for Transition Metal Complex Chemistry: Opportunity or Pipe Dream?

Path-Dependency of Energy Decomposition Analysis & the Elusive Nature of Bonding

Nickel-Catalyzed Anti-Markovnikov Hydroarylation of Unactivated Alkenes with Unactivated Arenes Facilitated by non-Covalent Interactions

18 results in Keywords: Energy Decomposition Analysis