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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
5,058
Downloads
8,492
Views
Citations
Structure and Bonding of Nanolayered Ternary Phosphides
(Articles)
Abdelkader Yakoubi
,
Hanane Mebtouche
,
Mohamed Ameri
,
Bachir Bouhafs
Materials Sciences and Applications
Vol.2 No.10
,October 17, 2011
DOI:
10.4236/msa.2011.210187
5,296
Downloads
8,949
Views
Citations
Modern Ab-Initio Calculations on Modified Tomas-Fermi-Dirac Theory
(Articles)
Sergey Seriy
Open Journal of Modelling and Simulation
Vol.3 No.3
,June 24, 2015
DOI:
10.4236/ojmsi.2015.33010
5,163
Downloads
7,019
Views
Citations
Comparative Molecular Mechanics and Quantum Mechanics Study of Monohydration of Nucleic Acid Bases
(Articles)
Job Lino-Pérez
,
Eduardo González-Jiménez
,
Alexandra Deriabina
,
Martha Velasco
,
Valery I. Poltev
Journal of Biophysical Chemistry
Vol.7 No.2
,May 17, 2016
DOI:
10.4236/jbpc.2016.72005
2,301
Downloads
3,573
Views
Citations
Investigation of Electronic, Elastic and Dynamic Properties of AgNbO
3
and AgTaO
3
under Pressure: Ab Initio Calculation
(Articles)
Sevket Simsek
World Journal of Condensed Matter Physics
Vol.13 No.2
,May 31, 2023
DOI:
10.4236/wjcmp.2023.132004
98
Downloads
428
Views
Citations
One-Electron-Addition to Pentavalent Phosphorus with the Phosphorus-Chlorine Bond as Acceptor Introducing a Fundamental Distinction in Substitution Mechanism between S
N
2(P) and S
N
2(C)
(Articles)
Henk M. Buck
Open Journal of Physical Chemistry
Vol.9 No.3
,August 30, 2019
DOI:
10.4236/ojpc.2019.93010
588
Downloads
1,501
Views
Citations
First Principle Study of Cubic SrMO
3
Perovskites (M = Ti, Zr, Mo, Rh, Ru)
(Articles)
Avinash Daga
,
Smita Sharma
,
K. S. Sharma
Journal of Modern Physics
Vol.2 No.8
,August 31, 2011
DOI:
10.4236/jmp.2011.28095
8,319
Downloads
15,859
Views
Citations
First-Principles Study of Electronic Structure and Optical Properties of Silicon/Carbon Nanotube
(Articles)
Wenyu Wang
,
Jiangang Xu
,
Yunguang Zhang
,
Guixia Li
Computational Chemistry
Vol.5 No.4
,October 27, 2017
DOI:
10.4236/cc.2017.54013
1,426
Downloads
3,422
Views
Citations
Theoretical Study of the Structure and Vibrational Spectrum of [Zn(2-Aminothiazole)
2
Cl
2
]
(Articles)
Rumyana Yankova
Open Access Library Journal
Vol.2 No.9
,September 10, 2015
DOI:
10.4236/oalib.1101864
621
Downloads
1,138
Views
Citations
A model study on the stacking interaction of phenanthroline ligand with nucleic acid base pairs: An ab initio, MP2 and DFT studies
(Articles)
Pankaj Hazarika
,
Bipul Bezbaruah
,
Pranjali Das
,
Okhil Kumar Medhi
,
Chitrani Medhi
Journal of Biophysical Chemistry
Vol.2 No.2
,June 2, 2011
DOI:
10.4236/jbpc.2011.22019
5,598
Downloads
11,213
Views
Citations
A quantum-chemical model of the inhibition mechanismof viral DNA HIV-1 replication by Iodine complexcompounds
(Articles)
Gulnara A. Yuldasheva
,
Georgii M. Zhidomirov
,
Aleksandr I. Ilin
Natural Science
Vol.3 No.7
,July 27, 2011
DOI:
10.4236/ns.2011.37080
4,531
Downloads
8,663
Views
Citations
First Principles Study of Structural and Electronic Properties of O
x
S
1
-
x
Zn Ternary Alloy
(Articles)
Mohammed Ameri
,
Daho Salah Eddine
,
Mokhtar Sebane
,
Keltouma Boudia
,
Yarub Al-Douri
,
Ali Bentouaf
,
Djelloul Hachemane
,
Bachir Bouhafs
,
Amina Touia
Materials Sciences and Applications
Vol.4 No.1
,January 24, 2013
DOI:
10.4236/msa.2013.41008
4,778
Downloads
7,364
Views
Citations
Chalcogen Bonds in Small-Organic Molecule Compounds Derived from the Cambridge Structural Database (CSD)
(Articles)
Albert S. Lundemba
,
Dikima D. Bibelayi
,
Philippe V. Tsalu
,
Peter A. Wood
,
Jason Cole
,
Jean S. Kayembe
,
Zephirin G. Yav
Crystal Structure Theory and Applications
Vol.10 No.4
,November 11, 2021
DOI:
10.4236/csta.2021.104005
355
Downloads
1,426
Views
Citations
Electronic and Optical Properties of Rocksalt CdO: A first-Principles Density-Functional Theory Study
(Articles)
Gang Yao
,
Xinyou An
,
Hongwen Lei
,
Yajun Fu
,
Weidong Wu
Modeling and Numerical Simulation of Material Science
Vol.3 No.1B
,January 21, 2013
DOI:
10.4236/mnsms.2013.31B005
4,422
Downloads
8,194
Views
Citations
Evaluation of Activation Energy and Thermodynamic Properties of Enzyme-Catalysed Transesterification Reactions
(Articles)
Ravindra Pogaku
,
Jegannathan Kenthorai Raman
,
Gujjula Ravikumar
Advances in Chemical Engineering and Science
Vol.2 No.1
,December 31, 2011
DOI:
10.4236/aces.2012.21018
11,858
Downloads
22,583
Views
Citations
First Principles Investigation of the Structure and Properties of Superconducting Cubic Protactinium Hydride PaH
3
(Articles)
Tao Liu
,
Tao Gao
Journal of Applied Mathematics and Physics
Vol.11 No.4
,April 28, 2023
DOI:
10.4236/jamp.2023.114073
70
Downloads
241
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
104,945
Downloads
109,562
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
4,477
Downloads
7,060
Views
Citations
Spin-Orbit Electronic Structure of the ScBr Molecule
(Articles)
Alaa Hamdan
,
Mahmoud Korek
Journal of Modern Physics
Vol.2 No.10
,October 27, 2011
DOI:
10.4236/jmp.2011.210146
4,453
Downloads
8,264
Views
Citations
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
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