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ISSN
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Structural, Electronic and Optical Properties of Sc
x
Al
1-x
N alloys within DFT Calculations
(Articles)
Asma Said
,
Yasmina Oussaifi
,
Moncef Said
Journal of Applied Mathematics and Physics
Vol.12 No.2
,February 29, 2024
DOI:
10.4236/jamp.2024.122038
75
Downloads
322
Views
Citations
A Theoretical Study of Tris-(
o
-benzoquinonediimine)-First-Row Divalent Transition Metal Complexes
(Articles)
Mohammad Abdul Matin
,
Samiran Bhattacharjee
,
Anwar Hossain
Advances in Chemical Engineering and Science
Vol.13 No.2
,April 21, 2023
DOI:
10.4236/aces.2023.132013
116
Downloads
564
Views
Citations
Authentication and Secret Message Transmission Technique Using Discrete Fourier Transformation
(Articles)
Debnath BHATTACHARYYA
,
Jhuma DUTTA
,
Poulami DAS
,
Samir Kumar BANDYOPADHYAY
,
Tai-hoon KIM
Int'l J. of Communications, Network and System Sciences
Vol.2 No.5
,August 21, 2009
DOI:
10.4236/ijcns.2009.25040
5,410
Downloads
9,786
Views
Citations
Investigation of the Optical Properties of CdBr
2
(Articles)
Hamdollah Salehi
,
Nastaran Asareh
Optics and Photonics Journal
Vol.1 No.1
,March 11, 2011
DOI:
10.4236/opj.2011.11001
5,221
Downloads
12,625
Views
Citations
Silica Nano-Networks as Stretches on Segmented SU8 Rods for Sub-Wavelength Photonics
(Articles)
Francois Doré
,
Bruno Bêche
,
Nolwenn Huby
,
F. Artzner
,
Lionel Camberlein
,
Etienne Gaviot
Optics and Photonics Journal
Vol.1 No.1
,March 11, 2011
DOI:
10.4236/opj.2011.11003
4,199
Downloads
8,918
Views
Citations
First-Principles Study of the Optical Properties of SrHfO
3
(Articles)
Hamdollah Salehi
,
Hosein Tolabinejad
Optics and Photonics Journal
Vol.1 No.2
,June 29, 2011
DOI:
10.4236/opj.2011.12012
5,907
Downloads
11,915
Views
Citations
First Principles Studies on the Electronic Structure and Band Structure of Paraelectric SrTiO
3
by Different Approximations
(Articles)
H. Salehi
Journal of Modern Physics
Vol.2 No.9
,September 16, 2011
DOI:
10.4236/jmp.2011.29111
8,533
Downloads
16,007
Views
Citations
Efficient Theoretical Screening of Solid Sorbents for CO
2
Capture Applications
(Articles)
Yuhua Duan
,
David Luebke
,
Henry Henry Pennline
International Journal of Clean Coal and Energy
Vol.1 No.1
,February 28, 2012
DOI:
10.4236/ijcce.2012.11001
8,224
Downloads
19,707
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
A DFT/ECP-Small Basis Set Modelling of Cisplatin: Molecular Structure and Vibrational Spectrum
(Articles)
Nicolay I. Dodoff
Computational Molecular Bioscience
Vol.2 No.2
,June 29, 2012
DOI:
10.4236/cmb.2012.22004
6,491
Downloads
16,768
Views
Citations
Ab Initio and Density Functional Theory (DFT) Study on Clonazepam
(Articles)
Bachu Sylaja
,
Shanmugam Srinivasan
Open Journal of Biophysics
Vol.2 No.3
,July 27, 2012
DOI:
10.4236/ojbiphy.2012.23011
5,628
Downloads
11,758
Views
Citations
Synthesis, Structural Study and Spectroscopic Characterization of a Quinolin-8-Yloxy Derivative with Potential Biological Properties
(Articles)
Elida Romano
,
María V. Castillo
,
Jorgelina L. Pergomet
,
Juan Zinczuk
,
Silvia A. Brandán
Open Journal of Synthesis Theory and Applications
Vol.2 No.1
,January 28, 2013
DOI:
10.4236/ojsta.2013.21002
4,791
Downloads
9,056
Views
Citations
Density Functional Theory Studies on the Addition and Abstraction Reactions of OH Radical with Benzoate Anion
(Articles)
Nobuaki Tanaka
,
Shigeo Itoh
Open Journal of Physical Chemistry
Vol.3 No.1
,February 19, 2013
DOI:
10.4236/ojpc.2013.31002
5,877
Downloads
10,097
Views
Citations
DFT Calculations on the Effect of Solvation on the Tautomeric Reactions for Wobble Gua-Thy and Canonical Gua-Cyt Base-Pairs
(Articles)
Kazuya Nomura
,
Ryota Hoshino
,
Eisuke Shimizu
,
Yasuhiro Hoshiba
,
Victor I. Danilov
,
Noriyuki Kurita
Journal of Modern Physics
Vol.4 No.3A
,March 29, 2013
DOI:
10.4236/jmp.2013.43A059
4,605
Downloads
7,512
Views
Citations
This article belongs to the Special Issue on
Density Functional Theory
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
SARs Investigation of
α
-,
β
-,
γ
-,
δ
-,
ε
-RuCl
2
(Azpy)
2
Complexes as Antitumor Drugs
(Articles)
Kafoumba Bamba
,
Ouattara Wawohinlin Patrice
,
N’Guessan Kouakou Nobel
,
Nahossé Ziao
Computational Chemistry
Vol.4 No.1
,January 6, 2016
DOI:
10.4236/cc.2016.41001
3,057
Downloads
3,987
Views
Citations
Theoretical and Electrochemical Characterization of
δ
-RuCl
2
(Nazpy)
2
: Application to Oxidation of D-Glucose
(Articles)
Wawohinlin Patrice Ouattara
,
Kafoumba Bamba
,
Nahossé Ziao
,
Kouakou Nobel N’guessan
American Journal of Analytical Chemistry
Vol.7 No.1
,January 22, 2016
DOI:
10.4236/ajac.2016.71006
4,352
Downloads
5,259
Views
Citations
Density Functional Theory Studies of Structural Properties and Natural Bond Orbital for a New Silver Halo Compound
(Articles)
Shahriar Ghamami
,
Amir Lashgari
Open Access Library Journal
Vol.1 No.3
,June 3, 2014
DOI:
10.4236/oalib.1100422
1,169
Downloads
1,716
Views
Citations
Landau Theory of Fermi Liquid in a Relativistic Nonlinear (σ, ω) Model at Finite Temperature
(Articles)
Schun T. Uechi
,
Hiroshi Uechi
Open Access Library Journal
Vol.3 No.7
,July 28, 2016
DOI:
10.4236/oalib.1102757
836
Downloads
1,737
Views
Citations
The Effects of Oxidation States, Spin States and Solvents on Molecular Structure, Stability and Spectroscopic Properties of Fe-Catechol Complexes: A Theoretical Study
(Articles)
Mohammad A. Matin
,
Mazharul M. Islam
,
Thomas Bredow
,
Mohammed Abdul Aziz
Advances in Chemical Engineering and Science
Vol.7 No.2
,March 7, 2017
DOI:
10.4236/aces.2017.72011
2,289
Downloads
5,347
Views
Citations
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