Quantum Chemistry - Articles - Scientific Research Publishing

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 5,644 Downloads 9,741 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 4,348 Downloads 5,451 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 1,255 Downloads 2,267 Views Citations
Experimental and Theoretical Investigations on Copper Corrosion Inhibition by Cefixime Drug in 1M HNO₃ 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 296 Downloads 1,324 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 1,823 Downloads 4,246 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 1,754 Downloads 2,794 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 1,949 Downloads 3,330 Views Citations
Influence of Nitro Group Substitutes to the Stability and Energetic Properties of N-(2,4,6-trinitrophenyl)-1H- 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 1,882 Downloads 3,094 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 439 Downloads 1,137 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 98 Downloads 597 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 235 Downloads 994 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 1,043 Downloads 1,940 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 50 Downloads 438 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 365 Downloads 1,545 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 3,942 Downloads 5,814 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 3,206 Downloads 5,681 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 910 Downloads 2,373 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 127 Downloads 469 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 5,945 Downloads 7,327 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 2,623 Downloads 6,230 Views Citations

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