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Articles (17)

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1-10 of 17 results for asynchronous concerted mechanism

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Select article: DFT Calculations on Retro-Ene Reactions Part I: Allyl n -Butyl Sulfide Pyrolysis in the Gas Phase

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Research article

First published 2004-9

DFT Calculations on Retro-Ene Reactions Part I: Allyl n -Butyl Sulfide Pyrolysis in the Gas Phase

M. Izadyar, A. H. Jahangir, M. R. Gholami

Journal of Chemical Research

Select article: First-Principles Calculations on the Kinetics and Mechanism of the Retro-Ene Reaction of Diallyl Amine in the Gas Phase

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Research article

First published 2012-5

First-Principles Calculations on the Kinetics and Mechanism of the Retro-Ene Reaction of Diallyl Amine in the Gas Phase

Mohammad Izadyar

Progress in Reaction Kinetics and Mechanism

Select article: A Theoretical Study on the Functionalisation Process of C 18 NB Fullerene Through its Open [5,5] Cycloaddition with 4-Pyridine Nitrile Oxide

Free access

Research article

First published 2015-4

A Theoretical Study on the Functionalisation Process of C 18 NB Fullerene Through its Open [5,5] Cycloaddition with 4-Pyridine Nitrile Oxide

Seyyed Amir Siadati, Miaad Alinezhad

Progress in Reaction Kinetics and Mechanism

Select article: Theoretical Study of the Kinetics and Mechanism of the Thermal Decomposition of 3-Oxetanone in the Gas Phase

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Research article

First published 2017-2

Theoretical Study of the Kinetics and Mechanism of the Thermal Decomposition of 3-Oxetanone in the Gas Phase

Mohammad Khavani, Javad Karimi

Progress in Reaction Kinetics and Mechanism

Select article: Effect of Fluorine Substitution on the Reaction between Methylene and Acetone: A DFT Study

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Research article

First published 2014-3

Effect of Fluorine Substitution on the Reaction between Methylene and Acetone: A DFT Study

Mohammad Reza Zardoost, Mohammad Ali Khalilzadeh, Monireh Sadat Ataei

Progress in Reaction Kinetics and Mechanism

Select article: A Density Functional Theory Study of Cyclization of Citronellal

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Research article

First published 2012-5

A Density Functional Theory Study of Cyclization of Citronellal

Mohammad Reza Zardoost, Mohammad Reza Gholami, M. Irani [...]

Progress in Reaction Kinetics and Mechanism

Select article: DFT study on the mechanism of the Diels–Alder reactions leading to bicyclo[4.2.0]octenones

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Research article

First published 2016-3

DFT study on the mechanism of the Diels–Alder reactions leading to bicyclo[4.2.0]octenones

Mina Haghdadi, Ali Moradi, Hassan Ghasemnejad Bosra

Progress in Reaction Kinetics and Mechanism

Select article: A computational study on the reaction mechanism of neutral phenol with formaldehyde in aqueous solution

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Research article

First published 2016-6

A computational study on the reaction mechanism of neutral phenol with formaldehyde in aqueous solution

Ming Cao, Taohong Li, Zhigang Wu [...]

Progress in Reaction Kinetics and Mechanism

Select article: N -Phenyl-1-methyl-6-methylenecyclohexa-2,4-dienylmethanimine retro cheletropic-ene reaction,a theoretical kinetic study

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Research article

First published 2013-12

N -Phenyl-1-methyl-6-methylenecyclohexa-2,4-dienylmethanimine retro cheletropic-ene reaction,a theoretical kinetic study

M. Izadyar

Progress in Reaction Kinetics and Mechanism

Select article: Ab Initio Study and Nbo Analysis of the Unimolecular Decomposition Kinetics of 2,2-Dimethyloxetane

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Research article

First published 2012-7

Ab Initio Study and Nbo Analysis of the Unimolecular Decomposition Kinetics of 2,2-Dimethyloxetane

Abolfazl Shiroudi, Ehsan Zahedi

Progress in Reaction Kinetics and Mechanism

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