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Electronic Properties of NbSe
2
over Graphene: A Meticulous Theoretical Analysis
(Articles)
Donald Homero Galvan
,
Joel Antúnez-García
,
Sergio Fuentes Moyado
Open Access Library Journal
Vol.4 No.5
,May 11, 2017
DOI:
10.4236/oalib.1103512
875
Downloads
1,727
Views
Citations
Accurate Electronic, Transport, and Related Properties of Wurtzite Beryllium Oxide (w-BeO)
(Articles)
Cheick Oumar Bamba
,
Richard Inakpenu
,
Yacouba I. Diakite
,
Lashounda Franklin
,
Yuriy Malozovsky
,
Anthony D. Stewart
,
Diola Bagayoko
Journal of Modern Physics
Vol.8 No.12
,November 17, 2017
DOI:
10.4236/jmp.2017.812116
1,063
Downloads
2,137
Views
Citations
Accurate, First-Principle Study of Electronic and Related Properties of the Ground State of Li
2
Se
(Articles)
Abdoulaye Goita
,
Feng Gao
,
Ifeanyi H. Nwigboji
,
Yuriy Malozovsky
,
Lashounda Franklin
,
Diola Bagayoko
Journal of Modern Physics
Vol.10 No.8
,July 9, 2019
DOI:
10.4236/jmp.2019.108060
666
Downloads
1,247
Views
Citations
This article belongs to the Special Issue on
Density Functional Theory
Imaginary Time Density Functional Calculation of Ground States of Atoms Using CWDVR Approach
(Articles)
Naranchimeg Davgiikhorol
,
Munkhsaikhan Gonchigsuren
,
Khenmedekh Lochin
,
Sukh Ochir
,
Tsogbadrakh Namsrai
Journal of Modern Physics
Vol.10 No.9
,August 6, 2019
DOI:
10.4236/jmp.2019.109073
752
Downloads
1,624
Views
Citations
Computational Analysis of a Series of Chlorinated Chalcone Derivatives
(Articles)
Bradley O. Ashburn
Computational Chemistry
Vol.7 No.4
,October 16, 2019
DOI:
10.4236/cc.2019.74008
679
Downloads
2,032
Views
Citations
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
514
Downloads
1,399
Views
Citations
Morphology Control of Polymer Microspheres Containing Block Copolymers with Seed Polymerization
(Articles)
Hossein Taherzadeh
,
Shunsuke Sotowa
,
Kenji Ogino
Open Journal of Organic Polymer Materials
Vol.5 No.2
,April 1, 2015
DOI:
10.4236/ojopm.2015.52005
5,159
Downloads
6,483
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
403
Downloads
1,413
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
1,686
Downloads
3,694
Views
Citations
This article belongs to the Special Issue on
Advanced Functional Materials Research
Optimization of Grafted Fibrous Polymer as a Solid Basic Catalyst for Biodiesel Fuel Production
(Articles)
Yuji Ueki
,
Seiichi Saiki
,
Takuya Shibata
,
Hiroyuki Hoshina
,
Noboru Kasai
,
Noriaki Seko
International Journal of Organic Chemistry
Vol.4 No.2
,May 22, 2014
DOI:
10.4236/ijoc.2014.42011
3,204
Downloads
5,142
Views
Citations
Functional Copolymer/Organo-MMT Nanoarchitectures. VIII. Synthesis, Morphology and Thermal Behavior of Poly(maleic anhydride-alt-acrylamide)-Organo-MMT Clays Nanohybrids
(Articles)
Zakir M. O. Rzayev
,
Burcu Şenol
,
Ernur A. Soylemez
Engineering
Vol.3 No.1
,January 29, 2011
DOI:
10.4236/eng.2011.31009
5,385
Downloads
11,122
Views
Citations
Origin of Petroleum: A New Theory of Its Formation
(Articles)
Mustafa Mahmoud Mawad
Journal of Power and Energy Engineering
Vol.8 No.8
,August 25, 2020
DOI:
10.4236/jpee.2020.88005
947
Downloads
14,349
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
7,981
Downloads
17,473
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
5,568
Downloads
12,985
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
4,168
Downloads
6,826
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
4,516
Downloads
7,175
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
5,584
Downloads
9,062
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
4,211
Downloads
5,664
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
1,645
Downloads
2,696
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
1,555
Downloads
2,883
Views
Citations
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