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Catalysis

Working Paper

Single Molecular Catalysis Identifying Activation Energy of Intermediate Product and Rate-Limiting Step in Plasmonic Photocatalysis

Di Li

Version 1 posted 23 December 2019

458

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Organic Chemistry

Working Paper

Activation Energy and NBO Interaction Approaches to the Determination of the Relative Resonance Acceptor Strengths of CN, NO, COMe, CHO and NO2 Groups from the Ring-Opening of 1,2-Benzo-3-Carbomethoxycyclobutenes

Veejendra Yadav, Arpita Yadav

Version 1 posted 07 June 2019

517

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1

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Physical Chemistry

Working Paper

Experimental Determination of Activation Energies for Covalent Bond Formation via Ion/Ion Reactions and Competing Processes

Melanie Cheung See Kit, Samantha O. Shepherd, James Prell, Ian Webb

Version 1 posted 22 January 2021

299

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Theoretical and Computational Chemistry

Working Paper

Quantum versus Classical Unimolecular Fragmentation Rate Constants and Activation Energies at Finite Temperature from Direct Dynamics Simulations

Federica Angiolari, Simon Huppert, Riccardo Spezia

Version 2 posted 27 October 2022

240

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Organic Chemistry

Working Paper

Activation Energy and NBO Interaction Approaches to Torquoselectivity and its Dependence on the Conformational Profile of the Substituent

Veejendra Yadav

Version 3 posted 17 May 2021

567

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Organic Chemistry

Working Paper

Nonlinear Correlation between Reduced Mass and Computed Activation Energy

Masatoshi Kawashima

Version 1 posted 19 August 2021

130

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Physical Chemistry

Working Paper

Apparent Activation Energy in Electrochemical Multistep Reactions: A Description via Degrees of Rate Control

Alfredo Calderón-Cárdenas, Enrique A. Paredes-Salazar, Hamilton Varela

Version 1 posted 27 May 2020

888

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Earth, Space, and Environmental Chemistry

Working Paper

The zwitterion isomer of orthosilicic acid and its role in neutral pH dimerization from density functional theory.

Mihali Felipe

Version 2 posted 28 July 2021

276

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Theoretical and Computational Chemistry

Working Paper

An automated method for graph-based chemical space exploration and transition state finding.

Pablo Ramos-Sánchez, Jeremy Harvey, Jose Gámez

Version 2 posted 02 June 2022

894

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Nanoscience

Working Paper

In Situ Transmission Electron Microscopy of Temperature-dependent Carbon Nanofiber and Carbon Nanotube Growth from Ethanol Vapor

Myeonggi Choe, Handolsam Chung, Wonjun Kim, Younggeun Jang, Zhaoying Wang, Zonghoon Lee

Version 2 posted 03 July 2023

289

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16 results in Activation energy in Keywords: Activation energy

Single Molecular Catalysis Identifying Activation Energy of Intermediate Product and Rate-Limiting Step in Plasmonic Photocatalysis

Activation Energy and NBO Interaction Approaches to the Determination of the Relative Resonance Acceptor Strengths of CN, NO, COMe, CHO and NO2 Groups from the Ring-Opening of 1,2-Benzo-3-Carbomethoxycyclobutenes

Experimental Determination of Activation Energies for Covalent Bond Formation via Ion/Ion Reactions and Competing Processes

Quantum versus Classical Unimolecular Fragmentation Rate Constants and Activation Energies at Finite Temperature from Direct Dynamics Simulations

Activation Energy and NBO Interaction Approaches to Torquoselectivity and its Dependence on the Conformational Profile of the Substituent

Nonlinear Correlation between Reduced Mass and Computed Activation Energy

Apparent Activation Energy in Electrochemical Multistep Reactions: A Description via Degrees of Rate Control

The zwitterion isomer of orthosilicic acid and its role in neutral pH dimerization from density functional theory.

An automated method for graph-based chemical space exploration and transition state finding.

In Situ Transmission Electron Microscopy of Temperature-dependent Carbon Nanofiber and Carbon Nanotube Growth from Ethanol Vapor

16 results in Keywords: Activation energy