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Atomistic Simulations of Formation of Elementary Zr-I Systems
(Articles)
Matthew L. Rossi
,
Christopher D. Taylor
Open Journal of Physical Chemistry
Vol.1 No.3
,November 25, 2011
DOI:
10.4236/ojpc.2011.13014
5,579
Downloads
9,628
Views
Citations
Simulation of 5-Fluorouracil Intercalated into Montmorillonite Using Spartan ’14: Molecular Mechanics, PM3, and Hartree-Fock
(Articles)
John H. Summerfield
Open Journal of Physical Chemistry
Vol.5 No.3
,July 28, 2015
DOI:
10.4236/ojpc.2015.53006
4,303
Downloads
5,455
Views
Citations
Quantum Chemical Characterization of Hydrogen Bonding Sites in Three 4-(4-Halo-Phenyl)-6-(Furan-2-yl) Pyrimidin-2-Amine Derivatives
(Articles)
Yafigui Traore
,
Kafoumba Bamba
,
Nahossé Ziao
,
Sopi Thomas Affi
,
Mamadou Guy-Richard Kone
Computational Chemistry
Vol.5 No.3
,July 5, 2017
DOI:
10.4236/cc.2017.53008
1,220
Downloads
2,165
Views
Citations
Experimental and Theoretical Investigations on Copper Corrosion Inhibition by Cefixime Drug in 1M HNO
3
Solution
(Articles)
N’guessan Yao Silvère Diki
,
Nagnonta Hippolyte Coulibaly
,
Ollo Kambiré
,
Albert Trokourey
Journal of Materials Science and Chemical Engineering
Vol.9 No.5
,May 21, 2021
DOI:
10.4236/msce.2021.95002
255
Downloads
1,234
Views
Citations
Many Electron Atoms: Ionization Energies of Transition Elements
(Articles)
Sebastiano Tosto
Open Journal of Physical Chemistry
Vol.7 No.3
,July 5, 2017
DOI:
10.4236/ojpc.2017.73007
1,786
Downloads
4,303
Views
Citations
Protonation Sites in Benzimidazolyl-Chalcones Molecules: An ab Initio and DFT Investigation
(Articles)
Mamadou Guy-Richard Kone
,
Sopi Thomas Affi
,
Nahossé Ziao
,
Kafoumba Bamba
,
Edja Florentin Assanvo
Computational Chemistry
Vol.4 No.3
,June 2, 2016
DOI:
10.4236/cc.2016.43006
1,715
Downloads
2,749
Views
Citations
Quantum Chemistry Prediction of Molecular Lipophilicity Using Semi-Empirical AM1 and
Ab Initio
HF/6-311++G Levels
(Articles)
Ouanlo Ouattara
,
Nahossé Ziao
Computational Chemistry
Vol.5 No.1
,January 19, 2017
DOI:
10.4236/cc.2017.51004
1,907
Downloads
3,333
Views
Citations
Influence of Nitro Group Substitutes to the Stability and Energetic Properties of N-(2,4,6-trinitrophenyl)-1
H
- 1,2,4-triazol-3-amine
(Articles)
Jelena Tamuliene
,
Jonas Sarlauskas
,
Svajone Bekesiene
American Journal of Analytical Chemistry
Vol.8 No.2
,February 4, 2017
DOI:
10.4236/ajac.2017.82010
1,829
Downloads
3,024
Views
Citations
This article belongs to the Special Issue on
Chemical Structure Analysis
DFT Study of Dimerization Sites in Imidazo[1,2-a]pyridinyl-chalcone Series
(Articles)
Bibata Konate
,
Sopi Thomas Affi
,
Nahossé Ziao
Computational Chemistry
Vol.9 No.1
,December 4, 2020
DOI:
10.4236/cc.2021.91001
396
Downloads
1,117
Views
Citations
Quantum Chemistry Research on Iron-Zinc Alloy Electrodeposition
(Articles)
Zhiliang Chen
Open Access Library Journal
Vol.8 No.7
,July 27, 2021
DOI:
10.4236/oalib.1107703
87
Downloads
505
Views
Citations
Comparison of Molecular Properties (Stabilities, Reactivity and Interaction) of Manzamenones and Two Antimalarial Drugs (Quinine and Artemisinin) Using Mixed Method Calculations (ONIOM) and DFT (B3LYP)
(Articles)
Atse Adepo Jacques
,
Kone Soleymane
,
Diomande Sékou
,
Bamba El-Hadji Sawaliho
Computational Chemistry
Vol.10 No.1
,January 27, 2022
DOI:
10.4236/cc.2022.101001
195
Downloads
909
Views
Citations
ONIOM Method Characterization of Hydrogen Bonding Sites of Mycolactone A/B, a Buruli Ulcer Toxin
(Articles)
Kadjo François Kassi
,
Mamadou Guy-Richard Koné
,
Sopi Thomas Affi
,
Nahossé Ziao
Computational Chemistry
Vol.5 No.3
,July 11, 2017
DOI:
10.4236/cc.2017.53009
1,016
Downloads
1,902
Views
Citations
Quantum Chemistry Research on Zinc Electrodeposition in KCl Solution
(Articles)
Zhiliang Chen
Open Access Library Journal
Vol.10 No.3
,March 31, 2023
DOI:
10.4236/oalib.1109762
37
Downloads
290
Views
Citations
Building Knowledge: Giving a New Meaning to the Teaching of Chemistry in Everyday School Life
(Articles)
Rita de Cássia Costa Modesto
,
Carolina Candida de Paula Souza
,
Marcio Antonio Ferreira Camargo
,
Carmen Aparecida Cardoso Maia Camargo
Open Access Library Journal
Vol.8 No.3
,March 31, 2021
DOI:
10.4236/oalib.1107271
307
Downloads
1,474
Views
Citations
The role of catalysis on the formation of an active proto-enzyme in the prebiotic aqueous environment
(Articles)
Carlo Canepa
Natural Science
Vol.5 No.5
,May 28, 2013
DOI:
10.4236/ns.2013.55069
3,894
Downloads
5,674
Views
Citations
The Importance of Piagetian Reference for the Elucidation of Conceptual Development in Chemistry
(Articles)
Aldo Sena de Oliveira
,
Anderson Luiz Machado
,
Ana Carolina Araujo da Silva
Creative Education
Vol.7 No.3
,March 28, 2016
DOI:
10.4236/ce.2016.73050
3,147
Downloads
5,588
Views
Citations
A Mathematical Model for Nutrient Metabolic Chemistry
(Articles)
Donald A. Drew
Applied Mathematics
Vol.9 No.6
,June 25, 2018
DOI:
10.4236/am.2018.96045
863
Downloads
2,273
Views
Citations
Empirical Validation of a Learning Progression in Initial Chemistry Education
(Articles)
Maik Walpuski
,
Kübra Nur Celik
Creative Education
Vol.15 No.2
,February 22, 2024
DOI:
10.4236/ce.2024.152013
77
Downloads
295
Views
Citations
Characterization of Sulphides Patches from the Neyveli Lignite Deposit
(Articles)
D.S. Rao
,
R. Nagendra
,
E. Rasool Mohideen
,
B.R. Nayak
J. of Minerals and Materials Characterization and Eng.
Vol.8 No.3
,March 20, 2009
DOI:
10.4236/jmmce.2009.83019
5,872
Downloads
7,361
Views
Citations
Solvent-Free Mechanochemical Deprotection of
N
-Boc Group
(Articles)
Davor Margetić
,
Mateja Đud
International Journal of Organic Chemistry
Vol.7 No.2
,June 8, 2017
DOI:
10.4236/ijoc.2017.72011
2,530
Downloads
6,255
Views
Citations
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