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Affiliation
ISSN
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Corrosion Inhibition Studies of Benzoxazole Derivates for N80 Steel in 1 M HCl Solution: Synthesis, Experimental, and DTF Studies
(Articles)
Dongqiu Yang
,
Xiaojun Feng
,
Ning Yan
,
Yanqun Wang
,
Lilin Lu
,
Ping Mei
,
Wu Chen
,
Lu Lai
Open Journal of Yangtze Oil and Gas
Vol.7 No.2
,March 1, 2022
DOI:
10.4236/ojogas.2022.72007
258
Downloads
1,411
Views
Citations
Vibrational, Electronic and Structural Study of Sprayed ZnO Thin Film Based on the IR-Raman Spectra and DFT Calculations
(Articles)
Bechir Ouni
,
Tarek Larbi
,
Mosbah Amlouk
Crystal Structure Theory and Applications
Vol.11 No.2
,May 31, 2022
DOI:
10.4236/csta.2022.112002
201
Downloads
949
Views
Citations
NBO Analysis by ONIOM and DFT (B3LYP) Calculations of Intramolecular and Intermolecular Interactions of Artemisinin, Quinine and Thirteen Manzamenones with H
2
O or Alanine
(Articles)
Atse Adepo Jacques
,
Kone Soleymane
,
Diomande Sékou
,
Et Bamba El-Hadji Sawaliho
Journal of Materials Science and Chemical Engineering
Vol.10 No.10
,October 31, 2022
DOI:
10.4236/msce.2022.1010006
117
Downloads
476
Views
Citations
Detailed Quantum Mechanical QSAR Analysis of Certain Aminopyrimidoisoquinolinequinones with Anticancer Activity
(Articles)
Mukhtaar Qaaed S. Sultan
,
Mohamed Osman El-Faki
,
Inas Osman Khojali Mohammed
Computational Chemistry
Vol.11 No.1
,January 20, 2023
DOI:
10.4236/cc.2023.111002
71
Downloads
440
Views
Citations
Computational Chemistry and Molecular Modeling Techniques for the Study of Micropeptin EI-964: Insights into Its Chemical Reactivity and Potential Pharmaceutical Properties
(Articles)
Norma Flores-Holguín
,
Juan Frau
,
Daniel Glossman-Mitnik
Computational Molecular Bioscience
Vol.13 No.3
,September 13, 2023
DOI:
10.4236/cmb.2023.133003
66
Downloads
310
Views
Citations
DFT-Based Chemical Reactivity Descriptors, Pharmacokinetics and Molecular Docking Studies of Thymidine Derivatives
(Articles)
Mohammad Ahad Hossain
,
Shahin Sultana
,
Mohammad Mazherul Islam
,
Sonia Akhter
,
Faria Nur
,
Fatima Majabin
,
Kantom Islam
,
Kazi Jawad Hossain
,
Yasuhiro Ozeki
,
Sarkar M. A. Kawsar
Computational Chemistry
Vol.11 No.4
,October 31, 2023
DOI:
10.4236/cc.2023.114006
173
Downloads
511
Views
Citations
Structural, Electronic and Optical Properties of Sc
x
Al
1-x
N alloys within DFT Calculations
(Articles)
Asma Said
,
Yasmina Oussaifi
,
Moncef Said
Journal of Applied Mathematics and Physics
Vol.12 No.2
,February 29, 2024
DOI:
10.4236/jamp.2024.122038
57
Downloads
243
Views
Citations
In silico
Study on Sulfated and Non-Sulfated Carbohydrate Chains from Proteoglycans in
Cnidaria
and Interaction with Collagen
(Articles)
Thomas Eckert
,
Sabine Stötzel
,
Monika Burg-Roderfeld
,
Judith Sewing
,
Thomas Lütteke
,
Nikolay E. Nifantiev
,
Johannes F. G. Vliegenthart
,
Hans-Christian Siebert
Open Journal of Physical Chemistry
Vol.2 No.2
,May 22, 2012
DOI:
10.4236/ojpc.2012.22017
4,572
Downloads
8,754
Views
Citations
Melting of Argon Cluster: Dependence of Caloric Curves on MD Simulation Parameters
(Articles)
Mohamed Tabti
,
Adil Eddahbi
,
Said Ouaskit
,
Lahcen Elarroum
World Journal of Condensed Matter Physics
Vol.2 No.3
,August 31, 2012
DOI:
10.4236/wjcmp.2012.23023
3,771
Downloads
6,888
Views
Citations
An Adjusted Model for Simple 1,2-Dyotropic Reactions.
Ab Initio
MO and VB Considerations
(Articles)
Henk M. Buck
Open Journal of Physical Chemistry
Vol.3 No.3
,August 6, 2013
DOI:
10.4236/ojpc.2013.33015
2,995
Downloads
5,506
Views
Citations
Construction of Periodic Solutions of One Class Nonautonomous Systems of Differential Equations
(Articles)
Alexander N. Pchelintsev
Journal of Applied Mathematics and Physics
Vol.1 No.3
,August 23, 2013
DOI:
10.4236/jamp.2013.13001
3,698
Downloads
8,182
Views
Citations
Estimation of the Temperature in the Weld Penetration Channel in Electron Beam Welding
(Articles)
D. N. Trushnikov
,
E. S. Salomatova
,
V. Ya. Belenkiy
Journal of Power and Energy Engineering
Vol.1 No.7
,November 28, 2013
DOI:
10.4236/jpee.2013.17009
3,372
Downloads
5,629
Views
Citations
Synthesis, Spectroscopic Investigations, Quantum Chemical Studies (
Ab-initio
& DFT) and Antimicrobial Activities of 3-(3-Chloro-4,5-dimethoxy-phenyl)-1-(4, 5-dimethoxy-2-methyl-Phenyl) prop-2-en-1-one
(Articles)
Urmila H. Patel
,
Sahaj A. Gandhi
,
Vijay M. Barot
,
Mitesh C. Patel
Crystal Structure Theory and Applications
Vol.2 No.4
,December 24, 2013
DOI:
10.4236/csta.2013.24023
5,038
Downloads
8,807
Views
Citations
Fine Structure Analysis of the Configuration System of V II. Part I: Even-Parity Levels
(Articles)
Safa Bouazza
,
Richard A. Holt
,
David S. Rosner
,
Nathan M. R. Armstrong
Journal of Modern Physics
Vol.5 No.7
,April 29, 2014
DOI:
10.4236/jmp.2014.57061
2,335
Downloads
3,529
Views
Citations
This article belongs to the Special Issue on
Surface Physics
Fine Structure Analysis of the Configuration System of V II. Part II: Odd-Parity Levels
(Articles)
Safa Bouazza
,
Richard A. Holt
,
David S. Rosner
,
Nathan M. R. Armstrong
Journal of Modern Physics
Vol.5 No.7
,April 29, 2014
DOI:
10.4236/jmp.2014.57062
2,289
Downloads
3,619
Views
Citations
This article belongs to the Special Issue on
Surface Physics
Theoretical Study of the Structure and Vibrational Spectrum of [Zn(2-Aminothiazole)
2
Cl
2
]
(Articles)
Rumyana Yankova
Open Access Library Journal
Vol.2 No.9
,September 10, 2015
DOI:
10.4236/oalib.1101864
616
Downloads
1,120
Views
Citations
[Azo-Hyd] Tautomerism and Structure of Selected Metal Complex Dyes AM1 and ZINDO/1 Methods
(Articles)
Krzysztof Wojciechowski
,
Lucjan Szuster
Computational Chemistry
Vol.4 No.4
,October 19, 2016
DOI:
10.4236/cc.2016.44010
2,024
Downloads
3,918
Views
Citations
Reactivity of N-Methylidenemalonates of 3-Arylaminoindoles and p-Dimethylamino-N-Phenylaniline in the Course of Their Analysis by Electrospray Ionization Mass Spectrometry
(Articles)
Yuri S. Nekrasov
,
Nikolai S. Ikonnikov
,
Yuri A. Borisov
,
Sergey S. Kiselev
,
Albert G. Kornienko
,
Valeriya S. Velezheva
,
Yury I. Lyakhovetsky
Int'l J. of Analytical Mass Spectrometry and Chromatography
Vol.5 No.1
,February 13, 2017
DOI:
10.4236/ijamsc.2017.51001
1,848
Downloads
3,191
Views
Citations
Theoretical and Experimental Study of Reaction of Transesterification of Vegetable Oils in an Alcohol Environment in the SbCF and SCF Conditions with the Ultrasonic Emulsification of Reaction Mixture and the Use of Heterogeneous Catalysts
(Articles)
Farid Mukhamedovich Gumerov
,
Rustem Aituganovich Usmanov
,
Sergei Valerevich Mazanov
,
Asiya Radifovna Gabitova
,
Alexandre Ivanovich Kourdiyukov
,
Zufar Ibragimovich Zaripov
Int'l J. of Analytical Mass Spectrometry and Chromatography
Vol.5 No.2
,June 30, 2017
DOI:
10.4236/ijamsc.2017.52003
1,198
Downloads
2,131
Views
Citations
This article belongs to the Special Issue on
Supercritical Fluids: Supercritical Fluid Extraction (SFE) and Supercritical Fluid Chromatography (SFC)
Gas Phase Activation of Methane Molecule with Lead Benzene Dication Complex Ion, [Pb(Benzene)
2
]
2+
(Articles)
Joseph K. Koka
Materials Sciences and Applications
Vol.10 No.2
,January 29, 2019
DOI:
10.4236/msa.2019.102009
578
Downloads
1,142
Views
Citations
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