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Theoretical Design of Complex Molecule via Combination of Natural Lawsone and Synthetic Indoline D131 Dyes for Dye Sensitized Solar Cells Application
(Articles)
Nyanda Madili
,
Alexander Pogrebnoi
,
Tatiana Pogrebnaya
Computational Chemistry
Vol.6 No.4
,October 31, 2018
DOI:
10.4236/cc.2018.64007
856
Downloads
1,945
Views
Citations
Theoretical Study on the Self, Water-assisted and Au-to-assisted Dimer Proton Transfer Reaction in the N-Hydroxy-Methylen-Formamide
(Articles)
Rezika Larabi
,
Yamina Belmiloud
,
Meziane Brahimi
Open Journal of Physical Chemistry
Vol.1 No.2
,August 25, 2011
DOI:
10.4236/ojpc.2011.12006
3,818
Downloads
8,886
Views
Citations
Electronic and Structural Properties of Li
3
AlP
2
and Li
3
AlAs
2
from First Principles
(Articles)
Mehrdad Dadsetani
,
Shirin Namjoo
Journal of Modern Physics
Vol.2 No.9
,September 16, 2011
DOI:
10.4236/jmp.2011.29110
4,427
Downloads
9,029
Views
Citations
Raman Optical Activity and Raman Spectra of Amphetamine Species—Quantum Chemical Model Calculations and Experiments
(Articles)
Rolf Willestofte Berg
,
Irene Shim
,
Peter Cyril White
,
Salim Abdali
American Journal of Analytical Chemistry
Vol.3 No.6
,June 21, 2012
DOI:
10.4236/ajac.2012.36054
6,586
Downloads
11,441
Views
Citations
Ab Initio
Calculations Study of Structural and Electronic Properties of Ternary Alloy Al
x
In
1–x
As
(Articles)
Mohammed Ameri
,
Fatima Boufadi
,
Amina Touia
,
Meriem Faudil
,
Djelloul Hachemane
,
Keltouma Boudia
,
Amel Slamani
,
Adjadj Aze-Eddine
Materials Sciences and Applications
Vol.3 No.10
,October 22, 2012
DOI:
10.4236/msa.2012.310099
6,150
Downloads
10,432
Views
Citations
Interaction of Atoms with Grain Surfaces in Steel: Periodic Dependence of Binding Energy on Atomic Number and Influence on Wear Resistance
(Articles)
Yuri F. Migal
,
Vladimir I. Kolesnikov
,
Vladimir N. Doronkin
,
Evgeni S. Novikov
Advances in Materials Physics and Chemistry
Vol.2 No.4
,December 28, 2012
DOI:
10.4236/ampc.2012.24030
5,732
Downloads
8,166
Views
Citations
Functional
N
-Representability in 2-Matrix, 1-Matrix, and Density Functional Theories
(Articles)
Eduardo V. Ludeña
,
F. Javier Torres
,
Cesar Costa
Journal of Modern Physics
Vol.4 No.3A
,March 29, 2013
DOI:
10.4236/jmp.2013.43A055
5,702
Downloads
10,230
Views
Citations
This article belongs to the Special Issue on
Density Functional Theory
Nickel Decorated Single-Wall Carbon Nanotube as CO Sensor
(Articles)
Ngangbam Bedamani Singh
,
Barnali Bhattacharya
,
Utpal Sarkar
Soft Nanoscience Letters
Vol.3 No.4A
,December 4, 2013
DOI:
10.4236/snl.2013.34A003
3,449
Downloads
5,539
Views
Citations
This article belongs to the Special Issue on
Indo-US International Workshop on Nanosensor Science & Technology
Structure of Flavones and Flavonols. Part II: Role of Position on the O-H Bond Dissociation Enthalpy
(Articles)
Maria Hr. Vakarelska-Popovska
,
Zhivko As. Velkov
Computational Chemistry
Vol.2 No.1
,January 10, 2014
DOI:
10.4236/cc.2014.21001
3,882
Downloads
12,745
Views
Citations
DFT Calculations for Corrosion Inhibition of Ferrous Alloys by Pyrazolopyrimidine Derivatives
(Articles)
Nuha Ahmed Wazzan
,
Fatma Mohamed Mahgoub
Open Journal of Physical Chemistry
Vol.4 No.1
,January 29, 2014
DOI:
10.4236/ojpc.2014.41002
6,054
Downloads
10,900
Views
Citations
DFT Study of Poly Furfuryl Alcohol-Rhodamine B Blend
(Articles)
Aqeel M. Ali
,
Ali H. Al-Mowali
Advances in Chemical Engineering and Science
Vol.4 No.2
,April 14, 2014
DOI:
10.4236/aces.2014.42019
5,220
Downloads
7,162
Views
Citations
A Comparative Study on the Structural and Vibrational Properties of Two Potential Antimicrobial and Anticancer Cyanopyridine Derivatives
(Articles)
María J. Márquez
,
María B. Márquez
,
Pablo G. Cataldo
,
Silvia A. Brandán
Open Journal of Synthesis Theory and Applications
Vol.4 No.1
,January 8, 2015
DOI:
10.4236/ojsta.2015.41001
4,234
Downloads
5,628
Views
Citations
Spectroscopic Evaluation of the Molecular Structures of di-μ-Chlorobis(1,5-Cyclooctadiene) Iridium (I) and Rhodium (I) Complexes
(Articles)
Saheed A. Popoola
,
Abdulaziz A. Al-Saadi
Journal of Applied Mathematics and Physics
Vol.3 No.2
,January 30, 2015
DOI:
10.4236/jamp.2015.32021
3,751
Downloads
4,666
Views
Citations
Molecular Structure, Vibrational Analysis and First Order Hyperpolarizability of 4-Methyl-3-Nitrobenzoic Acid Using Density Functional Theory
(Articles)
Jyothi Prashanth
,
Gaddam Ramesh
,
Jarupula Laxman Naik
,
Jai Kishan Ojha
,
Byru Venkatram Reddy
,
Gandham Ramana Rao
Optics and Photonics Journal
Vol.5 No.3
,March 25, 2015
DOI:
10.4236/opj.2015.53008
5,192
Downloads
7,903
Views
Citations
This article belongs to the Special Issue on
Laser Spectroscopy and Sensing
Synthesis, Crystal Structure and Infrared Characterization of Bis(4-dimethylamino-pyridinium) Tetrachlorocuprate
(Articles)
Mahjouba Ben Nasr
,
Frédéric Lefebvre
,
Chérif Ben Nasr
American Journal of Analytical Chemistry
Vol.6 No.5
,April 13, 2015
DOI:
10.4236/ajac.2015.65044
4,684
Downloads
6,384
Views
Citations
The Surface Reactivity of Pure and Monohydrogenated Nanocones Formed from Graphene Sheets
(Articles)
Ahlam A. El-Barbary
,
Mohamed A. Kamel
,
Khaled M. Eid
,
Hayam O. Taha
,
Rasha A. Mohamed
,
Mohammed A. Al-Khateeb
Graphene
Vol.4 No.4
,September 9, 2015
DOI:
10.4236/graphene.2015.44008
3,628
Downloads
4,639
Views
Citations
Mono-Vacancy and B-Doped Defects in Carbon Heterojunction Nanodevices
(Articles)
Ahlam A. El-Barbary
,
Mohamed A. Kamel
,
Khaled M. Eid
,
Hayam O. Taha
,
Mohamed M. Hassan
Graphene
Vol.4 No.4
,September 9, 2015
DOI:
10.4236/graphene.2015.44009
3,489
Downloads
4,317
Views
Citations
High Capacity Hydrogen Storage in Ni Decorated Carbon Nanocone: A First-Principles Study
(Articles)
S. Abdel Aal
,
A. S. Shalabi
,
K. A. Soliman
Journal of Quantum Information Science
Vol.5 No.4
,December 30, 2015
DOI:
10.4236/jqis.2015.54016
4,595
Downloads
6,157
Views
Citations
Investigation of the Stability of Oxadiasole and Their Analogs Using Quantum Mechanics Computation
(Articles)
Masoud Karimi
Computational Chemistry
Vol.4 No.1
,January 13, 2016
DOI:
10.4236/cc.2016.41002
4,158
Downloads
5,448
Views
Citations
Density Functional Theory Study of Exohedral Carbon Atoms Effect on Electrophilicity of Nicotine: Comparative Analysis
(Articles)
S. Dheivamalar
,
L. Sugi
,
K. Ambigai
Computational Chemistry
Vol.4 No.1
,January 29, 2016
DOI:
10.4236/cc.2016.41003
2,750
Downloads
4,388
Views
Citations
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