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Solvatochromism and Molecular Selectivity of C-(4-chlorophenyl)-N-phenylnitrone: A Photophysical Study
(Articles)
Sneha Salampuria
,
Tandrima Chaudhuri
,
Manas Banerjee
Optics and Photonics Journal
Vol.2 No.1
,March 28, 2012
DOI:
10.4236/opj.2012.21005
4,187
Downloads
7,910
Views
Citations
Effect of Monovacancy Defects on Adsorbing of CO, CO
2
, NO and NO
2
on Carbon Nanotubes: First Principle Calculations
(Articles)
Ahlam A. EL-Barbary
,
Gehan H. Ismail
,
Afaf M. Babeer
J. of Surface Engineered Materials and Advanced Technology
Vol.3 No.4
,October 21, 2013
DOI:
10.4236/jsemat.2013.34039
3,580
Downloads
5,220
Views
Citations
Theoretical Study of 5-HTP. Potential New Drug Resulting from the Complexation of 5-HTP with ATP
(Articles)
Josette Weinberg
,
Dan A. Lerner
Computational Chemistry
Vol.1 No.1
,October 29, 2013
DOI:
10.4236/cc.2013.11001
5,972
Downloads
16,257
Views
Citations
DFT Study of Monochlorinated Pyrene Compounds
(Articles)
Ehab AlShamaileh
Computational Chemistry
Vol.2 No.3
,July 28, 2014
DOI:
10.4236/cc.2014.23006
5,371
Downloads
7,449
Views
Citations
A Comparative Study of Electronic Properties of Bulk MoS2 and Its Monolayer Using DFT Technique: Application of Mechanical Strain on MoS2 Monolayer
(Articles)
Sohail Ahmad
,
Sugata Mukherjee
Graphene
Vol.3 No.4
,October 20, 2014
DOI:
10.4236/graphene.2014.34008
13,313
Downloads
21,592
Views
Citations
Computational Study of the Molecular Complexes between 5-HTP with ATP and DHEA. Potential New Drug Resulting from This Complexation
(Articles)
Dan A. Lerner
,
Constantin Balaceanu-Stolnici
,
Josette Weinberg
,
Luminita Patron
Computational Chemistry
Vol.3 No.1
,January 16, 2015
DOI:
10.4236/cc.2015.31003
3,383
Downloads
4,364
Views
Citations
Adsorption of CO, CO
2
, NO and NO
2
on Carbon Boron Nitride Hetero Junction: DFT Study
(Articles)
A. A. El-Barbary
,
Kh. M. Eid
,
M. A. Kamel
,
H. O. Taha
,
G. H. Ismail
J. of Surface Engineered Materials and Advanced Technology
Vol.5 No.4
,July 16, 2015
DOI:
10.4236/jsemat.2015.54019
4,667
Downloads
6,034
Views
Citations
Ab Initio Calculations on Structural, Electronic and Optical Properties of ZnO in Wurtzite Phase
(Articles)
Rita John
,
S. Padmavathi
Crystal Structure Theory and Applications
Vol.5 No.2
,May 13, 2016
DOI:
10.4236/csta.2016.52003
4,432
Downloads
7,508
Views
Citations
Structural, Spectral (IR and UV/Visible) and Thermodynamic Properties of Some 3d Transition Metal(II) Chloride Complexes of Glyoxime and Its Derivatives: A DFT and TD-DFT Study
(Articles)
Ludovid Ngouo Nogheu
,
Julius Numbonui Ghogomu
,
Desire Bikele Mama
,
Nyiang Kennet Nkungli
,
Elie Younang
,
Shridhar Ramachandra Gadre
Computational Chemistry
Vol.4 No.4
,October 25, 2016
DOI:
10.4236/cc.2016.44011
1,869
Downloads
3,724
Views
Citations
Extended Koopmans’ Approximation for CASDFT Exchange-Correlation Functional
(Articles)
Sergey Gusarov
,
Yurii Dmitriev
Journal of Applied Mathematics and Physics
Vol.6 No.6
,June 21, 2018
DOI:
10.4236/jamp.2018.66104
709
Downloads
2,181
Views
Citations
Theoretical Study of N-Methyl-3-Phenyl-3-(4-(Trifluoromethyl) Phenoxy) Propan as a Drug and Its Five Derivatives
(Articles)
Qabas M. Abdul Hussein AL-Makhzumi
,
Hussein I. Abdullah
,
Ramzie R. AL-Ani
Journal of Biosciences and Medicines
Vol.6 No.8
,August 29, 2018
DOI:
10.4236/jbm.2018.68007
989
Downloads
2,063
Views
Citations
Structures, Lipophilicity, Dipole Moments, Acidity and Spectroscopic Properties of Non-Steroidal Anti-Inflammatory Drugs Diclofenac, Bromfenac and Amfenac: A Theoretical Study
(Articles)
Assoma Amon Benjamine
,
Bede Affoué Lucie
,
Yapo Kicho Denis
,
Bamba El Hadji Sawaliho
Computational Chemistry
Vol.7 No.4
,September 30, 2019
DOI:
10.4236/cc.2019.74007
684
Downloads
2,147
Views
Citations
DFT-Based Prediction of Bioconcentration Factors of Polychlorinated Biphenyls in Fish Species Using Molecular Descriptors
(Articles)
Anil Kumar Soni
,
Pratibha Singh
,
Vishnu Kumar Sahu
Advances in Biological Chemistry
Vol.10 No.1
,February 6, 2020
DOI:
10.4236/abc.2020.101001
543
Downloads
1,314
Views
Citations
Crystal Packing Studies, Thermal Properties and Hirshfeld Surface Analysis in the Zn(II) Complex of 3-Aminopyridine with Thiocyanate as Co-Ligand
(Articles)
Divine Mbom Yufanyi
,
Hubert Jean Nono
,
Amah Colette Benedicta Yuoh
,
Che Dieudonne Tabong
,
Wirsiy Judith
,
Agwara Moise Ondoh
Open Journal of Inorganic Chemistry
Vol.11 No.3
,July 8, 2021
DOI:
10.4236/ojic.2021.113005
324
Downloads
1,312
Views
Citations
Catechin and Epicatechin. What’s the More Reactive?
(Articles)
Essoh Akpa Eugène
,
N’guessan Boka Robert
,
Adenidji Ganiyou
,
Yapo Kicho Denis
,
Adjou Ané
,
Bamba El Hadji Sawaliho
Computational Chemistry
Vol.10 No.2
,March 11, 2022
DOI:
10.4236/cc.2022.102003
327
Downloads
2,170
Views
Citations
A Computational Study of Microhydrated N-Acetyl-Phenylalaninylamide (NAPA): Kinetics and Thermodynamics
(Articles)
Mohammad Alauddin
,
Mohammad Masud Parvez
,
Mohammad Abdul Matin
Computational Molecular Bioscience
Vol.13 No.4
,December 13, 2023
DOI:
10.4236/cmb.2023.134005
50
Downloads
257
Views
Citations
Theoretical Study of Benzothiazole and Its Derivatives: Molecular Structure, Spectroscopic Properties, NBO, MEP and TD-DFT Analyses
(Articles)
Konaté Abdoulaye
,
Bédé Affoué Lucie
,
Ouattara Lamoussa
,
Koné Soleymane
,
Bamba Kafoumba
Journal of Materials Science and Chemical Engineering
Vol.12 No.3
,March 29, 2024
DOI:
10.4236/msce.2024.123004
23
Downloads
121
Views
Citations
The Confinement of Electromagnetic Radiation of Nanoemitters in a Multilayered Microsphere with Left-Handed Layers
(Articles)
Gennadiy Burlak
,
Alfredo Díaz-de-Anda
Journal of Electromagnetic Analysis and Applications
Vol.2 No.12
,December 29, 2010
DOI:
10.4236/jemaa.2010.212086
4,590
Downloads
7,942
Views
Citations
Density functional theory studies on the structure, vibrational spectra of three new tetrahalogenoferrate (III) complexes
(Articles)
Shahriare Ghammamy
,
Kheyrollah Mehrani
,
Somayyeh Rostamzadehmansor
,
Hajar Sahebalzamani
Natural Science
Vol.3 No.8
,August 3, 2011
DOI:
10.4236/ns.2011.38091
5,373
Downloads
10,695
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
5,294
Downloads
8,947
Views
Citations
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