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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
1,064
Downloads
2,144
Views
Citations
Conversion of 3,4-Dihydroxypyrrolidine-2,5-Dione to Maleimide through Tosylation and Mechanism Study by DFT
(Articles)
Maocai Yan
,
Zhen Zhang
,
Jinhui Zhou
,
Wei Li
,
Shuai Fan
,
Zhaoyong Yang
Computational Chemistry
Vol.6 No.3
,July 23, 2018
DOI:
10.4236/cc.2018.63004
1,147
Downloads
2,275
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
668
Downloads
1,251
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
1,627
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
683
Downloads
2,039
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
1,401
Views
Citations
Exchange-Correlation Functional Comparison of Electronic Energies in Atoms Using a Grid Basis
(Articles)
Anthony D. Ryan
,
Andres Gama
,
Frank Felerski
,
William D. Parker
Journal of Applied Mathematics and Physics
Vol.10 No.11
,November 29, 2022
DOI:
10.4236/jamp.2022.1011225
77
Downloads
555
Views
Citations
First Principle Study of the Structural and Piezoelectric Properties of Perovskite ZrTi(PbO
3
)
2
Materials for Naval SONAR
(Articles)
Owolabi Joshua Adeyemi
,
Gidado Mohammed Mawashi
,
Alhassan Shuaibu
,
Bamikole Johnson Akinade
,
Ugbe Raphael Ushiekpan
Journal of Applied Mathematics and Physics
Vol.7 No.2
,February 14, 2019
DOI:
10.4236/jamp.2019.72022
1,644
Downloads
3,245
Views
Citations
Theoretical Simulation of the Infrared Absorption Spectrum of the Strong Hydrogen and Deuterium Bond in 2-Pyridone Dimer
(Articles)
Noureddine Issaoui
,
Houcine Ghalla
,
Brahim Oujia
Open Journal of Physical Chemistry
Vol.2 No.4
,November 27, 2012
DOI:
10.4236/ojpc.2012.24031
4,591
Downloads
8,924
Views
Citations
Determination of Physiochemical Properties of Biosorbents Synthesized from Water Melon Rind Using Microwave Assisted Irradiation Procedure
(Articles)
Augustus Newton Ebelegi
,
Enudi Ishioma Toneth
,
Makbere Anthony Bokizibe
Open Journal of Physical Chemistry
Vol.12 No.2
,May 31, 2022
DOI:
10.4236/ojpc.2022.122002
131
Downloads
731
Views
Citations
Evaluation of Physicochemical Parameters of Biosorbents Produced from Groundnut Hull Using Microwave Assisted Irradiation Method
(Articles)
Augustus Newton Ebelegi
,
Newman Tonizibeze Elijah
,
Jackson Godwin
Open Journal of Physical Chemistry
Vol.13 No.1
,February 27, 2023
DOI:
10.4236/ojpc.2023.131001
69
Downloads
351
Views
Citations
Synthesis and Characterization of Chlorine-methoxy-diphenylquinoline (Cl-MO-DPQ) and Chlorine-methyl-diphenylquinoline (Cl-M-DPQ) Blue Emitting Organic Phosphors
(Articles)
G. D. Zade
,
S. J. Dhoble
,
S. B. Raut
,
R. B. Pode
Journal of Modern Physics
Vol.2 No.12
,December 7, 2011
DOI:
10.4236/jmp.2011.212184
4,754
Downloads
8,563
Views
Citations
Modeling of the Chemico-Physical Process of Protonation of Molecules Entailing Some Quantum Chemical Descriptors
(Articles)
Sandip K. Rajak
,
Nazmul Islam
,
Dulal C. Ghosh
Journal of Quantum Information Science
Vol.1 No.2
,September 30, 2011
DOI:
10.4236/jqis.2011.12012
5,035
Downloads
10,375
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
7,985
Downloads
17,480
Views
Citations
Quantification of Inositol Hexa-Kis Phosphate in Environmental Samples
(Articles)
Lynne P. Heighton
,
Merle Zimmerman
,
Clifford P. Rice
,
Eton E. Codling
,
John A. Tossell
,
Walter F. Schmidt
Open Journal of Soil Science
Vol.2 No.1
,March 28, 2012
DOI:
10.4236/ojss.2012.21009
4,686
Downloads
7,916
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
5,569
Downloads
12,991
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
4,172
Downloads
6,830
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
5,041
Downloads
8,815
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
7,176
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
5,589
Downloads
9,075
Views
Citations
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