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Research article

First published 2021-11

Synthesis,isomerization,and DFT studies of five-membered heterocyclic ketoximes

Biyun Su, Qiaoqiao Han, Xiaoteng Li [...]

Journal of Chemical Research

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Research article

First published 2022-07-12

DFT and TD-DFT study of adsorption behavior of Zejula drug on surface of the B 12 N 12 nanocluster

Ebrahim Balali, Sara Sandi, Masoome Sheikhi [...]

Main Group Chemistry

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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 2013-9

A DFT Study on the 1,3-Dipolar Cycloaddition of Benzonitrile Oxide and N -Ethylmaleimide

Mohammad Reza Zardoost, Seyyed Amir Siadati, Bahram Ghadiri Oghani

Progress in Reaction Kinetics and Mechanism

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Research article

First published 2022-12-20

The study of Letrozole adsorption upon CCT nanotube: A DFT/TD-DFT and spectroscopic (excited states and UV/Vis)

Nasrin Masnabadi

Main Group Chemistry

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Research article

First published 2012-9

A DFT Study on the Cycloaddition of Dimethyl Acetylenedicarboxylate and 3,4-dihydroisoquinoline-N-oxide

Mohammad Reza Zardoost, Seyyed Amir Siadati

Progress in Reaction Kinetics and Mechanism

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Research article

First published 2025-8

Solubility of Mercaptopurine as an anti-cancer drug in green solvents by spectral studies and DFT

Mahsa Mahmoudi Karamjavan, Alireza Monadi Sefidan, Maziar Noei

Main Group Chemistry

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Research article

First published 2010-12

Thermodynamics and Dynamic Kinetics of the Oxidation of Selenomethionine to Methionine Selenoxide: A Dft Study

Qingyang Liu, Yiling Bei

Progress in Reaction Kinetics and Mechanism

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Research article

First published 2014-1

DFT study of the sulfidation pretreatment of molybdenum carbides in the hydrodechlorination reaction of chlorobenzene

Milagros Velásquez, Alba B. Vidal, Anelisse Bastardo [...]

Journal of Computational Methods in Sciences and Engineering

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Research article

First published 2011-8

A Dft Study of Solvent Effects on the Cycloaddition of Norbornadiene and 3,4–Dihydroisoquinoline-N-Oxide

Seyyed Amir Siadati, Navabeh Nami, Mohammad Reza Zardoost

Progress in Reaction Kinetics and Mechanism

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