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Research article

First published 2018-10

Reactivity of β-Substituted Phosphoenol Pyruvates towards Alkoxides: A Theoretical and Experimental Study

Djilali Bassou, Amina Ghomri, Abdelkrim Atmani

Progress in Reaction Kinetics and Mechanism

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Research article

First published 2017-9

Prediction of the Regioselectivity of 1,3-Dipolar Cycloaddition Reactions of Nitrile Oxides with 2(5 H )-Furanones Using Recent Theoretical Reactivity Indices

Imad Eddine Charif, Wafaa Benchouk, Sidi Mohamed Mekelleche

Progress in Reaction Kinetics and Mechanism

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Research article

First published 2014-9

1,3-Dipolar Cycloaddition Reactions between Ethyl Diazoacetate and Substituted Alkynes: A Density Functional Theory Study

Javad Tajabadi, Mehdi Bakavoli, Mostafa Gholizadeh [...]

Progress in Reaction Kinetics and Mechanism

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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

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Research article

First published 2012-2

Mechanism and Regioselectivity of the 1,3-Dipolar Cycloaddition of Methyleneamine N-Oxide with Cyclopent-3-Ene-1,2-Dione and its Aza,Oxa and Thia Analogues: A Dft Approach

Saeed Reza Emamian, Ehsan Zahedi

Progress in Reaction Kinetics and Mechanism

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Research article

First published 2017-2

DFT Investigation of the Kinetics and Mechanism of the Thermal Decomposition of Oxalic Acid

Mohammad Khavani, Mohammad Izadyar, Azam Jamsaz

Progress in Reaction Kinetics and Mechanism

Retricted access

Research article

First published 2012-7

Topological study of charge density in AlTi,AlTi 3 and Al 3 Ti intermetallics

Keily Gutiérrez, Jesús Rodríguez, Yosslen Aray [...]

Journal of Computational Methods in Sciences and Engineering

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Research article

First published 2022-07-12

Molecular interactions of indomethacin and amino acids: Computational approach

Ali Parkan, Mahmoud Mirzaei, Naser Tavakoli [...]

Main Group Chemistry

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Research article

First published 2017-7

Synthesis,characterisation,optical properties and theoretical calculations of a new fluorescent heterocyclic system: 3 H -benzo[ a ]pyrazolo[3,4- j ]acridine

Hamideh Alipoor, Mehdi Pordel, Ali Morsali

Journal of Chemical Research

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Research article

First published 2016-11

Reaction Mechanisms and Kinetics of the O 2 Addition Pathways to the Main Thiophene-OH Adduct: A Theoretical Study

Abolfazl Shiroudi, Michael S. Deleuze

Progress in Reaction Kinetics and Mechanism

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