International Journal of Physical Sciences - Article Cited by

International Journal of
Physical Sciences

Abbreviation: Int. J. Phys. Sci.
Language: English
ISSN: 1992-1950
DOI: 10.5897/IJPS
Start Year: 2006
Published Articles: 2572

Full Length Research Paper

NMR and NBO calculation of benzimidazoles and pyrimidines: Nano physical parameters investigation

M. Monajjemi1*, M. Sheikhi2, M. Mahmodi Hashemi1, F. Molaamin3 and R. Zhiani1

1Department of Chemistry, Science and Research Branch, Islamic Azad University, Tehran, Iran. 2Ph.D Student, Science and Research Branch, Islamic Azad University, Tehran, Iran. 3Department of Chemistry, Qom Branch, Islamic Azad University, Qom, Iran.
Email: [email protected]

Article Number - 2C9162E17870
Vol.7(13), pp. 2010 - 2031 , March 2012
https://doi.org/10.5897/IJPS11.507

Accepted: 02 June 2011
Published: 23 March 2012

Copyright © 2024 Author(s) retain the copyright of this article.
This article is published under the terms of the Creative Commons Attribution License 4.0.

CrossRef Citations (11)

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1.

Sheikhi Masoome,Shahab Siyamak,Khaleghian Mehrnoosh,Hajikolaee Fatemeh Haji,Balakhanava Iryna,Alnajjar Radwan, . (2018) Adsorption properties of the molecule resveratrol on CNT(8,0-10) nanotube: Geometry optimization, molecular structure, spectroscopic (NMR, UV/Vis, excited state), FMO, MEP and HOMO-LUMO investigations . Journal of Molecular Structure

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Sheikhi Masoome,Shahab Siyamak,Alnajjar Radwan,Ahmadianarog Mahin, . (2019) Adsorption Properties of the New Anti-Cancer Drug Alectinib on CNT(6,6-6) Nanotube: Geometry Optimization, Molecular Structure, Spectroscopic (NMR, UV/Vis, Excited State), FMO, MEP and HOMO–LUMO Investigations . Journal of Cluster Science

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Ghahremani Sahar,Samadizadeh Marjaneh,Khaleghian Mehrnoosh,Zabarjad Shiraz Nader, . (2020) Theoretical study of encapsulation of Floxuridine anticancer drug into BN (9,9-7) nanotube for medical application . Phosphorus, Sulfur, and Silicon and the Related Elements

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Shahab Siyamak,Sheikhi Masoome,Khaleghian Mehrnoosh,Kumar Rakesh,Murashko Marina, . (2018) DFT study of physisorption effect of CO and CO2 on furanocoumarins for air purification . Journal of Environmental Chemical Engineering

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Sheikhi Masoome,Shahab Siyamak,Khaleghian Mehrnoosh,Kumar Rakesh, . (2018) Interaction Between New Anti-cancer Drug Syndros and CNT(6,6-6) Nanotube for Medical Applications: Geometry Optimization, Molecular Structure, Spectroscopic (NMR, UV/Vis, Excited state), FMO, MEP and HOMO-LUMO Investigation . Applied Surface Science

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Soltani Alireza,Ghari Fereshteh,Khalaji Aliakbar Dehno,Tazikeh Lemeski E.,Fejfarova Karla,Dusek Michal,Shikhi Masoomeh, . (2015) Crystal structure, spectroscopic and theoretical studies on two Schiff base compounds of 2,6-dichlorobenzylidene-2,4-dichloroaniline and 2,4-dichlorobenzylidene-2,4-dichloroaniline . Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

7.

Sheikhi Masoome,Shahab Siyamak,Filippovich Liudmila,Khaleghian Mehrnoosh,Dikusar Evgenij,Mashayekhi Mahsa, . (2017) Interaction between new synthesized derivative of (E,E)-azomethines and BN(6,6-7) nanotube for medical applications: Geometry optimization, molecular structure, spectroscopic (NMR, UV/Vis, excited state), FMO, MEP and HOMO-LUMO investigations . Journal of Molecular Structure

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Ramazani Ali,Sheikhi Masoome,Ahankar Hamideh,Rouhani Morteza,Joo Sang Woo,Ślepokura Katarzyna,Lis Tadeusz, . (2017) Crystal Structure, Spectroscopic and DFT Studies on E and Z Isomers of Ethyl 2-(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)-3-phenyl-2-propenoate . Journal of Chemical Crystallography

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Masoome Sheikhi ,Shahab Siyamak,Alnajjar Radwan,Ahmadianarog Mahin, . (2019) Theoretical Model for Surface Forces between Cytosine and CNT(6,6-6) Nanotube: Geometry Optimization, Molecular Structure, Intermolecular Hydrogen Bond, Spectroscopic (NMR, UV/Vis, Excited State), FMO, MEP, and HOMO–LUMO Investigations . Russian Journal of Physical Chemistry A

10.

Ramazani A.,Sheikhi M.,Hanifehpour Y.,Asiabi P. A.,Joo S. W., . (2018) Molecular Structure, Electronic Properties, Homo–Lumo, MEP and NBO Analysis of (N-Isocyanimino) Triphenylphosphorane (Ph3PNNC): DFT Calculations . Journal of Structural Chemistry

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Llancalahuen Felipe M.,Fuentes Juan A.,Carreño Alexander,Zúñiga César,Páez-Hernández Dayán,Gacitúa Manuel,Polanco Rubén,Preite Marcelo D.,Arratia-Pérez Ramiro,Otero Carolina, . (2018) New Properties of a Bioinspired Pyridine Benzimidazole Compound as a Novel Differential Staining Agent for Endoplasmic Reticulum and Golgi Apparatus in Fluorescence Live Cell Imaging . Frontiers in Chemistry

Copyright © 2024 Author(s) retain the copyright of this article.

This article is published under the terms of the Creative Commons Attribution License 4.0

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