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Sensitivity of the C-N Vibration to Solvation in Dicyanobenzenes: A DFT Study
(Articles)
Arianna Gladney
,
Changyong Qin
,
Helene Tamboue
Open Journal of Physical Chemistry
Vol.2 No.2
,May 22, 2012
DOI:
10.4236/ojpc.2012.22016
3,787
Downloads
7,964
Views
Citations
Phase Behavior of Sphere-Forming Triblock Copolymers in Films
(Articles)
Hong-Ge Tan
,
Qing-Gong Song
,
Xin-Huan Yang
,
Ya-Jing Deng
Open Journal of Applied Sciences
Vol.2 No.3
,September 28, 2012
DOI:
10.4236/ojapps.2012.23023
3,671
Downloads
6,609
Views
Citations
Physical Properties of CrSb/InP(001): Effect of Interface in Half-Metallic
(Articles)
Arash Boochani
,
Shahram Solymani
,
Sahar Rezaee
,
Negin Beryani Nezafat
,
Sara Fakhrai Tadayon
,
Amin Aminian
World Journal of Nano Science and Engineering
Vol.3 No.3
,September 5, 2013
DOI:
10.4236/wjnse.2013.33011
4,361
Downloads
6,867
Views
Citations
Comparison of Functionals for Metal Hexaboride Band Structure Calculations
(Articles)
Jose A. Alarco
,
Peter C. Talbot
,
Ian D. R. Mackinnon
Modeling and Numerical Simulation of Material Science
Vol.4 No.2
,March 28, 2014
DOI:
10.4236/mnsms.2014.42008
5,801
Downloads
8,495
Views
Citations
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
2,018
Views
Citations
Simple Model of Transformation of a Crystal Structures
(Articles)
B. I. Lev
Journal of Modern Physics
Vol.7 No.16
,December 26, 2016
DOI:
10.4236/jmp.2016.716205
1,296
Downloads
1,949
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
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
757
Downloads
1,640
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
1,428
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
Effect of High-Energy Ball Milling on the Magnetic Properties of NiZn Ferrite Ceramics Synthesized by Spark Plasma Sintering
(Articles)
Shang Gao
,
Shenhua Song
,
Qingguo Song
Journal of Materials Science and Chemical Engineering
Vol.3 No.8
,August 12, 2015
DOI:
10.4236/msce.2015.38008
5,094
Downloads
6,318
Views
Citations
Influence of the Elastic Modulus of the Soil and Concrete Foundation on the Displacements of a Mat Foundation
(Articles)
Oustasse Abdoulaye Sall
,
Meissa Fall
,
Yves Berthaud
,
Makhaly Ba
Open Journal of Civil Engineering
Vol.3 No.4
,December 27, 2013
DOI:
10.4236/ojce.2013.34027
7,009
Downloads
12,789
Views
Citations
Influence of the Soil-Structure Interaction in the Behavior of Mat Foundation
(Articles)
Oustasse Abdoulaye Sall
,
Meissa Fall
,
Yves Berthaud
,
Makhaly Ba
,
Mapathé Ndiaye
Open Journal of Civil Engineering
Vol.4 No.1
,March 19, 2014
DOI:
10.4236/ojce.2014.41007
5,932
Downloads
12,110
Views
Citations
Density Functional Calculations of the Mechanical, Electronic and Dynamical Properties of Antiperovskite Ca
3
BO (B = Pb, Ge, Sn)
(Articles)
Phillip Wilfsen Otieno Nyawere
Open Journal of Microphysics
Vol.14 No.1
,February 29, 2024
DOI:
10.4236/ojm.2024.141001
38
Downloads
141
Views
Citations
Acoustic Wave Propagation in Nanocrystalline RuCo Alloys
(Articles)
Pramod Kumar Yadawa
,
Devraj Singh
,
Dharmendra Kumar Pandey
,
Giridhar Mishra
,
RajaRam Yadav
Advances in Materials Physics and Chemistry
Vol.1 No.2
,September 30, 2011
DOI:
10.4236/ampc.2011.12003
104,949
Downloads
109,578
Views
Citations
Simulation Mechanical Properties of Lead Sulfur Selenium under Pressure
(Articles)
Mazin S. Othman
Journal of Modern Physics
Vol.4 No.2
,February 6, 2013
DOI:
10.4236/jmp.2013.42026
4,490
Downloads
7,084
Views
Citations
Finite Deformation and Viscoelasticity Modeling and Test
(Articles)
Tibi Beda
,
Yvon Chevalier
,
Kokou-Esso Atcholi
,
Essole Padayodi
,
Jean-Claude Sagot
Engineering
Vol.3 No.8
,August 12, 2011
DOI:
10.4236/eng.2011.38098
5,569
Downloads
10,235
Views
Citations
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