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Research article

First published 2003-8

Fragmentation Mechanisms of Protonated Benzylamines. Electrospray Ionisation-Tandem Mass Spectrometry Study and ab Initio Molecular Orbital Calculations

Sophie Bourcier, Yannik Hoppilliard

European Journal of Mass Spectrometry

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Research article

First published 2003-9

Ab Initio Study of Conformational Properties of ( Z,Z,Z )-Cyclonona-1,3,6-Triene

Davood Nori-Shargh, Mostafa Mohammadpour Amini, Saeed Jameh-Bozorghi [...]

Journal of Chemical Research

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Research article

First published 2002-11

Ab initio Study of Configurations of Cycloundeca-1,2,4,5,7,8,10-heptaene

Davood Nori-Shargh, Bita Soltani, Saeed Jameh-Bozorghi [...]

Journal of Chemical Research

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Research article

First published 2021-12-22

Investigating Functionalization Impacts on Structural Features of Barbituric Acid Derivatives: DFT Approach

Narjes Hajali, Afshin Taghva Manesh, Ahmad Seif

Main Group Chemistry

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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 2023-04-05

DFT,molecular docking and ADME prediction of tenofovir drug as a promising therapeutic inhibitor of SARS-CoV-2 M pro

Siyamak Shahab, Masoome Sheikhi, Maksim Khancheuski [...]

Main Group Chemistry

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Research article

First published 2021-12-22

Structural analysis of an iron-assisted carbon monolayer for delivery of 2-thiouracil

Azar Asgari Pari, Mohammad Yousefi, Susan Samadi [...]

Main Group Chemistry

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Research article

First published 2003-7

Ab initio Study of Configurational and Conformational Properties of Cyclodeca-1,2,4,6,7,9-Hexaene and Cyclodeca-1,2,4,6,8,9-Hexaene †

Davood Nori-Shargh, Nasrin Sarogh-Farahani, Saeed Jameh-Bozorghi [...]

Journal of Chemical Research

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Research article

First published 2022-07-12

Structural analysis of dexrazoxane: Exploring tautomeric conformations

Farnoosh Behboodyzad, Tahereh Mohseniabbasabadi, Nahal Ghanemnia [...]

Main Group Chemistry

Open access

Research article

First published 2021-2

Synthesis,Antitumor Activity,Oil-Water Partition Coefficient,and Theoretical Calculation of 2 New Rutaecarpine Derivatives With Methoxy Groups

Jingjing Ma, Ruolan Yang, Hui Guo [...]

Natural Product Communications

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