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Chemical Engineering and Industrial Chemistry

Working Paper

Studying Kinetics of a Surface Reaction using Elastocapillary Effect

Nitish Singh, Ajeet Kumar, Animangsu Ghatak

Version 1 posted 20 March 2023

259

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Physical Chemistry

Working Paper

Structure-Based Reaction Descriptors for Predicting Rate Constants by Machine Learning: Application to Hydrogen Abstraction from Alkanes by CH3/H/O Radicals

Yu Zhang, Jinhui Yu, Hongwei Song, Minghui Yang

Version 1 posted 30 May 2023

210

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Organic Chemistry

Working Paper

Estimation of the rate constants for the radical addition of a trifluoromethyl radical to aryl-substituted vinyl triflates

Takuji Kawamoto, Mai Hisayuki, Akio Kamimura

Version 2 posted 07 March 2024

351

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Analytical Chemistry

Working Paper

Measuring the Adsorption Cross-Section of YOYO-1 to Immobilized DNA Molecules

Srijana Pandey, Dinesh Gautam, Jixin Chen

Version 1 posted 25 March 2024

141

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Theoretical and Computational Chemistry

Working Paper

A Model of Pre-reaction Complexes

YILMAZ OZKILIC

Version 2 posted 28 August 2023

228

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Physical Chemistry

Working Paper

An energy decomposition and extrapolation scheme for evaluating electron transfer rate constants: A case study on electron self-exchange reactions of transition metal complexes

Akihiro Mutsuji, Kenichiro Saita, Satoshi Maeda

Version 1 posted 30 June 2022

203

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Theoretical and Computational Chemistry

Working Paper

A simplified Bixon-Jortner-Plotnikov method for fast calculation of radiationless transfer rates in symmetric molecules

Arthur I. Martynov, Aleksandr S. Belov, Vladimir K. Nevolin

Version 1 posted 16 December 2022

216

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Physical Chemistry

Working Paper

Theoretical Determination of Rate Constants from Excited-States: Application to Benzophenone

Katsuyuki Shizu, Hironori Kaji

Version 1 posted 24 May 2021

1,495

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Theoretical and Computational Chemistry

Working Paper

Using non-adiabatic excitation transfer for signal transmission between molecular logic gates

Arthur I. Martynov, Aleksandr S. Belov, Vladimir K. Nevolin

Version 2 posted 15 March 2024

214

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Biological and Medicinal Chemistry

Working Paper

HSADab: A Comprehensive Database for Human Serum Albumin

Lei Zheng, Zhaoyi Zeng, Yao Zhao, Xiao Liu, Zhe Huai, Xudong Zhang, Zhaoxi Sun, John Z.H. Zhang

Version 1 posted 20 May 2024

242

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10 results in rate constant in Keywords: rate constant

Studying Kinetics of a Surface Reaction using Elastocapillary Effect

Structure-Based Reaction Descriptors for Predicting Rate Constants by Machine Learning: Application to Hydrogen Abstraction from Alkanes by CH3/H/O Radicals

Estimation of the rate constants for the radical addition of a trifluoromethyl radical to aryl-substituted vinyl triflates

Measuring the Adsorption Cross-Section of YOYO-1 to Immobilized DNA Molecules

A Model of Pre-reaction Complexes

An energy decomposition and extrapolation scheme for evaluating electron transfer rate constants: A case study on electron self-exchange reactions of transition metal complexes

A simplified Bixon-Jortner-Plotnikov method for fast calculation of radiationless transfer rates in symmetric molecules

Theoretical Determination of Rate Constants from Excited-States: Application to Benzophenone

Using non-adiabatic excitation transfer for signal transmission between molecular logic gates

HSADab: A Comprehensive Database for Human Serum Albumin

10 results in Keywords: rate constant