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Inhibition Performance of Some Sulfonylurea on Copper Corrosion in Nitric Acid Solution Evaluated Theoretically by DFT Calculations
(Articles)
Mougo André Tigori
,
Amadou Kouyaté
,
Victorien Kouakou
,
Paulin Marius Niamien
,
Albert Trokourey
Open Journal of Physical Chemistry
Vol.10 No.3
,August 3, 2020
DOI:
10.4236/ojpc.2020.103008
524
Downloads
1,428
Views
Citations
Hydrogen Adsorption Mechanism of SiC Nanocones
(Articles)
M. A. Al-Khateeb
,
A. A. El-Barbary
Graphene
Vol.9 No.1
,January 31, 2020
DOI:
10.4236/graphene.2020.91001
453
Downloads
1,405
Views
Citations
Corrosion Inhibition of Aluminium in Gas and Acid Media by Some Chalcone-Based N-(3-Aminopropyl)Imidazoles: TD-DFT-Based FMO, Conceptual DFT, QTAIM and EDA Studies
(Articles)
Fritzgerald Kogge Bine
,
Stanley Numbonui Tasheh
,
Nyiang Kennet Nkungli
Computational Chemistry
Vol.9 No.1
,January 5, 2021
DOI:
10.4236/cc.2021.91003
412
Downloads
1,441
Views
Citations
A Study by
Ab-Initio
Calculation of Structural and Electronic Properties of Semiconductor Nanostructures Based on ZnSe
(Articles)
A. Rachidi
,
E. H. Atmani
,
N. Fazouan
,
M. Boujnah
Materials Sciences and Applications
Vol.7 No.9
,September 29, 2016
DOI:
10.4236/msa.2016.79047
1,690
Downloads
3,725
Views
Citations
This article belongs to the Special Issue on
Advanced Functional Materials Research
Theoretical and Electrochemical Characterization of
δ
-RuCl
2
(Nazpy)
2
: Application to Oxidation of D-Glucose
(Articles)
Wawohinlin Patrice Ouattara
,
Kafoumba Bamba
,
Nahossé Ziao
,
Kouakou Nobel N’guessan
American Journal of Analytical Chemistry
Vol.7 No.1
,January 22, 2016
DOI:
10.4236/ajac.2016.71006
4,352
Downloads
5,259
Views
Citations
Theoretical Determination of Influence of the Metallic State of Oxidation toward Cytotoxic Activity: Case of Ruthenium Complexes
(Articles)
Bamba Kafoumba
,
Ouattara Wawohinlin Patrice
,
Diarrassouba Fatogoma
,
Lamoussa Ouattara
,
Massapihanhoro Pierre Ouattara
,
Kouakou Nobel N’guessan
,
Ehouman Ahissan Donatien
,
Ziao Nahossé
Computational Chemistry
Vol.9 No.2
,April 30, 2021
DOI:
10.4236/cc.2021.92006
302
Downloads
1,069
Views
Citations
Computational Study of the Alkylation Reaction of the Nitrogen Mustard Mechlorethamine Using NBO Model and the QTAIM Theory
(Articles)
Michell O. Almeida
,
Sérgio Henrique D. M. Faria
Open Journal of Physical Chemistry
Vol.3 No.4
,October 25, 2013
DOI:
10.4236/ojpc.2013.34016
4,377
Downloads
8,071
Views
Citations
Structural and Electronic Properties of Bixo
3
(X = Mn, Fe, Cr)
(Articles)
Djillali Bensaid
,
Nour-Eddine Benkhettou
,
Ali Kourdassi
Journal of Modern Physics
Vol.2 No.7
,July 11, 2011
DOI:
10.4236/jmp.2011.27075
7,999
Downloads
17,515
Views
Citations
A First Principles Investigation of the Mechanical Properties of g-TlN
(Articles)
Qing Peng
,
Chao Liang
,
Wei Ji
,
Suvranu De
Modeling and Numerical Simulation of Material Science
Vol.2 No.4
,October 22, 2012
DOI:
10.4236/mnsms.2012.24009
5,583
Downloads
13,021
Views
Citations
Dimensionality Effects in Dipolar Fluids: A Density Functional Theory Study
(Articles)
Remi Geiger
,
Sabine H. L. Klapp
Journal of Modern Physics
Vol.4 No.3A
,March 29, 2013
DOI:
10.4236/jmp.2013.43A056
4,181
Downloads
6,852
Views
Citations
This article belongs to the Special Issue on
Density Functional Theory
DFT Study on Reaction Mechanism of DNA Base Pair with Hydroxyl Radical
(Articles)
Eisuke Shimizu
,
Ryota Hoshino
,
Kazuya Nomura
,
Victor I. Danilov
,
Noriyuki Kurita
Journal of Modern Physics
Vol.4 No.3A
,March 29, 2013
DOI:
10.4236/jmp.2013.43A062
5,047
Downloads
8,833
Views
Citations
This article belongs to the Special Issue on
Density Functional Theory
Theoretical investigation of the dispersion interaction in argon dimer and trimer
(Articles)
Abdullah H. Quasti
,
Walid I. Hassan
Journal of Biophysical Chemistry
Vol.4 No.2
,May 24, 2013
DOI:
10.4236/jbpc.2013.42013
4,523
Downloads
7,200
Views
Citations
The Mechanism of Formation of Glass-Ionomer Cement: A Theoretical Study
(Articles)
Jair Gaviria
,
Claudia G. García
,
Ederley Vélez
,
Jairo Quijano
Modeling and Numerical Simulation of Material Science
Vol.3 No.4
,October 15, 2013
DOI:
10.4236/mnsms.2013.34021
5,605
Downloads
9,123
Views
Citations
Two-water-assisted racemization of the succinimide intermediate formed in proteins. A computational model study
(Articles)
Ohgi Takahashi
Health
Vol.5 No.12
,December 18, 2013
DOI:
10.4236/health.2013.512273
3,929
Downloads
5,783
Views
Citations
First Principles Study of the Structural and Electronic Properties of the ZnO/Cu
2
O Heterojunction
(Articles)
Mabrouk Zemzemi
,
Sahbi Alaya
Materials Sciences and Applications
Vol.6 No.7
,July 16, 2015
DOI:
10.4236/msa.2015.67068
4,316
Downloads
6,497
Views
Citations
A Theoretical Study of
β
-Amino Acid Conformational Energies and Solvent Effect
(Articles)
Victor F. Waingeh
,
Felix N. Ngassa
,
Jie Song
Open Journal of Physical Chemistry
Vol.5 No.4
,November 12, 2015
DOI:
10.4236/ojpc.2015.54013
4,218
Downloads
5,705
Views
Citations
Theoretical Insights Elucidate Novel Active Phosphonate Esters—Cephalosporin Antibiotics’ Intermediate
(Articles)
Youmin Sun
,
Huixue Ren
,
Xiaofeng Wei
,
Guiqin Zhang
Open Journal of Inorganic Chemistry
Vol.6 No.4
,October 17, 2016
DOI:
10.4236/ojic.2016.64017
1,651
Downloads
2,713
Views
Citations
This article belongs to the Special Issue on
Metal Complexes
Accurate Electronic, Transport, and Bulk Properties of Zinc Blende Gallium Arsenide (Zb-GaAs)
(Articles)
Yacouba Issa Diakite
,
Sibiri D. Traore
,
Yuriy Malozovsky
,
Bethuel Khamala
,
Lashounda Franklin
,
Diola Bagayoko
Journal of Modern Physics
Vol.8 No.4
,March 20, 2017
DOI:
10.4236/jmp.2017.84035
1,560
Downloads
2,908
Views
Citations
Surface Properties of Novel Surfactant, Dihexadecyl Gemini Phosphate, Monolayers on Water Surface by Dropping Method
(Articles)
Yusuke Kobayashi
,
Takahiko Amano
,
Keijiro Taga
,
Yasushi Yamamoto
,
Zameer Shervani
,
Masato Yamamoto
Journal of Biophysical Chemistry
Vol.8 No.4
,November 3, 2017
DOI:
10.4236/jbpc.2017.84004
1,184
Downloads
2,271
Views
Citations
Different Interaction Mechanisms of Evaporated Porphyrin Films Exposed to NO
2
(Articles)
M. Rivera
,
M. Rivera
,
J. M. Rivera
,
O. Amelines-Sarria
,
Y. A. Wang
Advances in Materials Physics and Chemistry
Vol.8 No.11
,November 16, 2018
DOI:
10.4236/ampc.2018.811030
1,122
Downloads
2,198
Views
Citations
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