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The Bowing Parameters of Ca
χ
Mg
1-χ
O Ternary Alloys
(Articles)
Sinem Erden Gulebaglan
,
Emel Kilit Dogan
,
Murat Aycibin
,
Mehmet Nurullah Secuk
,
Bahattin Erdinc
,
Harun Akkus
Journal of Modern Physics
Vol.5 No.15
,September 30, 2014
DOI:
10.4236/jmp.2014.515155
4,207
Downloads
5,175
Views
Citations
First-Principles Study on Cation-Antisite Defects of Stannate and Titanate Pyrochlores
(Articles)
Lianju Chen
,
Xue Su
,
Yuhong Li
Open Access Library Journal
Vol.1 No.3
,June 6, 2014
DOI:
10.4236/oalib.1100516
1,272
Downloads
2,019
Views
Citations
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
885
Downloads
1,754
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
1,157
Downloads
2,296
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
690
Downloads
2,062
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
524
Downloads
1,430
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
454
Downloads
1,406
Views
Citations
Recalculate Structural, Elastic, Electronic, and Thermal Properties in LaAlO
3
Rhombohedral Perovskite
(Articles)
Abdelkader Boudali
,
Fatiha Saadaoui
,
Mostefa Zemouli
,
Mohamed Driss Khodja
,
Kadda Amara
Advances in Materials Physics and Chemistry
Vol.3 No.2
,June 5, 2013
DOI:
10.4236/ampc.2013.32020
5,069
Downloads
8,521
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
1,442
Views
Citations
Gaussian beam with non-spiral optical vortex
(Articles)
Xiu-Min Gao
,
Song Hu
,
Jin-Song Li
,
Han-Ming Guo
,
Jian Wang
,
Song-Lin Zhuang
Natural Science
Vol.2 No.3
,April 12, 2010
DOI:
10.4236/ns.2010.23031
6,127
Downloads
11,293
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
8,000
Downloads
17,517
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
4,695
Downloads
7,944
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
4,187
Downloads
6,860
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
5,051
Downloads
8,840
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
4,526
Downloads
7,206
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
5,609
Downloads
9,133
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
5,785
Views
Citations
Quantum Chemical Studies on the Corrosion Inhibition of Mild Steel by Piperidin-4-One Derivatives in 1 M H
3
PO
4
(Articles)
Kalaiselvi Kathirvel
,
Brindha Thirumalairaj
,
Mallika Jaganathan
Open Journal of Metal
Vol.4 No.4
,October 30, 2014
DOI:
10.4236/ojmetal.2014.44009
4,197
Downloads
6,298
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
4,219
Downloads
5,709
Views
Citations
Understanding the Relativistic Generalization of Density Functional Theory (DFT) and Completing It in Practice
(Articles)
Diola Bagayoko
Journal of Modern Physics
Vol.7 No.9
,May 26, 2016
DOI:
10.4236/jmp.2016.79083
2,215
Downloads
4,243
Views
Citations
This article belongs to the Special Issue on
Density Functional Theory Research
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