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Research article

First published 2014-11

A Combined Experimental and Natural Bonding Orbital Charges Study on the One-pot Regioselective Synthesis of 4-Chloropyrazoles

Yi Li, Yuanyuan Liu, Guanghui Xu [...]

Journal of Chemical Research

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Other

First published 2002-8

Theoritical ab initio study of Internal Rotation Barriers,Structures Stabilities and Population of Formamide †

Majid Monajjemi, Halleh H. Haeri, Malihe T. Azad

Journal of Chemical Research

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Research article

First published 2016-6

A DFT study of solvent effects on the kinetics and mechanism of the [3,3] hetero-Cope rearrangement of 1-butene thiobenzoate

Mohammad Khavani, Mohammad Izadyar, Mojtaba Rezaeian

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

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Research article

First published 2022-07-12

Encapsulation of anticancer drug Ibrance into the CNT(8,8-7) nanotube: A study based on DFT method

Ziba Tavakoli, Masoome Sheikhi, Siyamak Shahab [...]

Main Group Chemistry

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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

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Research article

First published 2023

X-ray diffractometer,FTIR and theoretical approach of topological analysis of covellite single crystal

Mitesh B. Solanki, Margi Jani, Sandip M. Vyas [...]

Proceedings of the Institution of Mechanical Engineers,Part E: Journal of Process Mechanical Engineering

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Research article

First published 2017-2

Effects of Solvent and Side-Chain Length on the Cycloaddition of Cyclopentadiene to N -alkylmaleimides: A Dft Study

Javad Karimi

Progress in Reaction Kinetics and Mechanism

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Research article

First published 2018-11

DFT calculation and NBO population analysis of the 2,4,6-Tri-Phenyl- λ 3 - Phosphinine dianion

Achour Sadi, Ourida Ouamerali

Journal of Computational Methods in Sciences and Engineering

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Research article

First published 2015-7

Implicit and explicit solvent effects on the selectivity of the cycloaddition reaction of cyclopentadiene and methyl acrylate;a theoretical study

Mohammad Khavani, Mohammad Izadyar

Progress in Reaction Kinetics and Mechanism

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