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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
4,522
Downloads
7,130
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
1,920
Downloads
3,627
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
721
Downloads
2,124
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
1,011
Downloads
1,990
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
706
Downloads
2,138
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
564
Downloads
1,297
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
345
Downloads
1,253
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
342
Downloads
2,166
Views
Citations
Spectroscopic Electrochemical Properties and DFT Calculation of 1-Aryltriazenes
(Articles)
Insa Seck
,
Mohamed Lamine Sall
,
Atoumane Ndiaye
,
Samba Fama Ndoye
,
Lalla Aïcha Ba
,
Matar Seck
International Journal of Organic Chemistry
Vol.13 No.4
,December 6, 2023
DOI:
10.4236/ijoc.2023.134009
67
Downloads
296
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
63
Downloads
284
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
34
Downloads
194
Views
Citations
Depth Sensing Indentation of Oxidized Plasma Sprayed CoNiCrAlY Coatings
(Articles)
Marco Alfano
,
Giovanni di Girolamo
,
Leonardo Pagnotta
,
Jurgita Zekonyte
,
Robert J. K. Wood
Soft Nanoscience Letters
Vol.1 No.2
,April 8, 2011
DOI:
10.4236/snl.2011.12009
4,304
Downloads
8,461
Views
Citations
A Relativistic Density Functional Study of the U
2
F
6
Molecule
(Articles)
Yunguang Zhang
Journal of Modern Physics
Vol.3 No.8
,August 16, 2012
DOI:
10.4236/jmp.2012.38113
3,542
Downloads
5,636
Views
Citations
Mechanical Activation of Chemical Process
(Articles)
Czesław Kajdas
Materials Sciences and Applications
Vol.6 No.1
,January 13, 2015
DOI:
10.4236/msa.2015.61008
3,495
Downloads
4,871
Views
Citations
Comparison of Two Methods of Chlorhexidine Application of Shear Bond Strength Degradation between Composite Resin and Dentin
(Articles)
Endang Suprastiwi
,
Itja Risanti
,
Nila Kesuma Djauharie
Open Journal of Stomatology
Vol.5 No.8
,August 10, 2015
DOI:
10.4236/ojst.2015.58026
3,778
Downloads
4,561
Views
Citations
Poverty, Climate Change and Weather-Indexed Bonds
(Articles)
Joseph Atta-Mensah
Journal of Mathematical Finance
Vol.6 No.2
,May 13, 2016
DOI:
10.4236/jmf.2016.62024
2,500
Downloads
3,784
Views
Citations
A Prediction Method of Protein Disulfide Bond Based on Hybrid Strategy
(Articles)
Pengfei Sun
,
Yunhong Ding
,
Yuyan Huang
,
Lei Zhang
Journal of Biomedical Science and Engineering
Vol.9 No.10B
,September 23, 2016
DOI:
10.4236/jbise.2016.910B015
1,214
Downloads
2,061
Views
Citations
Modelling the Dynamics of Government Finance on Bond Market Return in Nigeria
(Articles)
Olatunji Abdul Shobande
Theoretical Economics Letters
Vol.8 No.15
,November 29, 2018
DOI:
10.4236/tel.2018.815210
964
Downloads
1,666
Views
Citations
Why African Companies Are Absent on the Bond Market? An Explanation through Companies Listed on the BRVM
(Articles)
Ndoume Essingone Hervé
Modern Economy
Vol.10 No.1
,January 18, 2019
DOI:
10.4236/me.2019.101015
779
Downloads
1,561
Views
Citations
Explain the Determinants of Credit Spreads in the US
(Articles)
Wenqi Zhang
Open Journal of Business and Management
Vol.9 No.2
,March 29, 2021
DOI:
10.4236/ojbm.2021.92041
705
Downloads
4,073
Views
Citations
This article belongs to the Special Issue on
Brand Strategy and Management
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