Artemisinin; Molecular Modeling; Quantum Chemical Methods; Statistical Analysis; B3LYP/6-31G - Articles

Evaluation of Quantum Chemical Methods and Basis Sets Applied in the Molecular Modeling of Artemisinin (Articles)

Cleydson B. R. dos Santos, Cleison C. Lobato, Josinete B. Vieira, Davi S. B. Brasil, Alaan U. Brito, Williams J. C. Macêdo, José Carlos T. Carvalho, José C. Pinheiro

Computational Molecular Bioscience Vol.3 No.3, September 16, 2013

DOI: 10.4236/cmb.2013.33009 6,694 Downloads 14,628 Views Citations
Application of Hartree-Fock Method for Modeling of Bioactive Molecules Using SAR and QSPR (Review)

Cleydson B. R. Santos, Cleison C. Lobato, Francinaldo S. Braga, Sílvia S. S. Morais, Cesar F. Santos, Caio P. Fernandes, Davi S. B. Brasil, Lorane I. S. Hage-Melim, Williams J. C. Macêdo, José C. T. Carvalho

Computational Molecular Bioscience Vol.4 No.1, March 14, 2014

DOI: 10.4236/cmb.2014.41001 9,470 Downloads 22,013 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 2,152 Downloads 4,037 Views Citations
Modeling Metal Binding Sites in Proteins by Quantum Chemical Calculations (Short Report)

Todor Dudev

Computational Chemistry Vol.2 No.2, March 26, 2014

DOI: 10.4236/cc.2014.22003 4,159 Downloads 10,472 Views Citations
The Statistical Experimental Design for Chemical Reactors Modeling (Articles)

Graciela Prieto, Oscar Prieto, Teresa Unzaga, Carlos Gay, Kazunori Takashima, Akira Mizuno

Applied Mathematics Vol.7 No.14, August 24, 2016

DOI: 10.4236/am.2016.714133 2,530 Downloads 4,628 Views Citations
Numerical Study Using Statistical and Quantum Approaches for Solving Energy and Navier Stokes Momentum Equations (PDEs) (Articles)

Saeed J. Almalowi

Engineering Vol.14 No.3, March 28, 2022

DOI: 10.4236/eng.2022.143015 372 Downloads 1,313 Views Citations
The Genesis of the Quantum Theory of the Chemical Bond (Articles)

Salvatore Esposito, Adele Naddeo

Advances in Historical Studies Vol.3 No.5, December 23, 2014

DOI: 10.4236/ahs.2014.35020 5,927 Downloads 9,661 Views Citations
Analysis for Regional Differences and Influence Factor of Rural Income in China (Articles)

Jinyu Chen, Wenxiu Zhang

Modern Economy Vol.3 No.5, September 29, 2012

DOI: 10.4236/me.2012.35076 4,673 Downloads 7,859 Views Citations
Evaluation of the Physico-Chemical Properties of the Waters on the Litani River Station Quaraoun (Articles)

Ali Hayek, Nabil Tabaja, Samir Abbad Andaloussi, Joumana Toufaily, Evelyne Garnie-Zarli, Abbas El Toufaili, Tayssir Hamieh

American Journal of Analytical Chemistry Vol.11 No.2, February 19, 2020

DOI: 10.4236/ajac.2020.112007 1,119 Downloads 3,678 Views Citations
Classification of Various Bottled Mineral Waters Marketed in Djibouti (Articles)

Elmi Idil Mouhoumed, Mohamed Mohamed-awal Abdillahi, Yacin Mouhoumed Elmi, Choukri Osman Doubad, Egueh Abdoul-Nasser Dirieh

World Journal of Engineering and Technology Vol.8 No.4, November 9, 2020

DOI: 10.4236/wjet.2020.84052 739 Downloads 2,884 Views Citations
Water Quality Index (WQI) of Nabaa El Tasseh Spring, Nabatiyeh, Lebanon (Articles)

Fatima Abou Abbass, Nada Nehme, Bachar Koubaissy, Zeinab Ibrahim, Rabih Khalife, Lynn Hamadeh, Jihane Karameh, Khaled Tarawneh

Journal of Geoscience and Environment Protection Vol.12 No.12, December 25, 2024

DOI: 10.4236/gep.2024.1212012 158 Downloads 1,070 Views Citations
A General Purpose Analysis Package (Articles)

Stefano Federico

Atmospheric and Climate Sciences Vol.2 No.2, April 26, 2012

DOI: 10.4236/acs.2012.22022 5,132 Downloads 8,540 Views Citations
Study of Dielectric and Piezoelectric Properties in the Ternary System Pb_0.98Ca_0.02[{(Zr_0.52Ti_0.48)_0.98(Cr³⁺_0.5 , Ta⁵⁺_0.5)_0.02}_1–zP_z]O₃ Doping Effects (Articles)

Hamzioui Louanes, Kahoul Fares, Abdessalem Nora, Boutarfaia Ahmed

Materials Sciences and Applications Vol.3 No.1, January 12, 2012

DOI: 10.4236/msa.2012.31007 4,336 Downloads 7,837 Views Citations
Comparative Study of the Chemical Reactivity of Helical Peptide Models for Protein Glycation (Articles)

Juan Frau, Daniel Glossman-Mitnik

Computational Chemistry Vol.5 No.2, April 28, 2017

DOI: 10.4236/cc.2017.52006 1,469 Downloads 2,778 Views Citations
Simplifying Stochastic Mathematical Models of Biochemical Systems (Articles)

Silvana Ilie, Samaneh Gholami

Applied Mathematics Vol.4 No.1A, January 30, 2013

DOI: 10.4236/am.2013.41A038 4,819 Downloads 8,734 Views Citations
This article belongs to the Special Issue on Numerical Analysis
Interaction of Molecules of Phosphorus-Containing Inorganic Additives with Iron Surface: Quantum-Chemical Analysis and Tribotechnical Testing (Articles)

Yuri F. Migal, Vladimir I. Kolesnikov, Maria A. Savenkova, Daria N. Solodovnikova

Advances in Materials Physics and Chemistry Vol.3 No.6, October 17, 2013

DOI: 10.4236/ampc.2013.36038 3,566 Downloads 5,972 Views Citations
[Azo-Hyd] Tautomerism and Structure of Selected Metal Complex Dyes AM1 and ZINDO/1 Methods (Articles)

Krzysztof Wojciechowski, Lucjan Szuster

Computational Chemistry Vol.4 No.4, October 19, 2016

DOI: 10.4236/cc.2016.44010 2,406 Downloads 4,690 Views Citations
Modeling the Drilling Process of Aluminum Composites Using Multiple Regression Analysis and Artificial Neural Networks (Articles)

Ahmad Mayyas, Awni Qasaimeh, Khalid Alzoubi, Susan Lu, Mohammed T. Hayajneh, Adel M. Hassan

Journal of Minerals and Materials Characterization and Engineering Vol.11 No.10, October 31, 2012

DOI: 10.4236/jmmce.2012.1110108 7,051 Downloads 9,658 Views Citations
Static Analysis and Code Complexity Metrics as Early Indicators of Software Defects (Articles)

Safa Omri, Pascal Montag, Carsten Sinz

Journal of Software Engineering and Applications Vol.11 No.4, April 11, 2018

DOI: 10.4236/jsea.2018.114010 2,055 Downloads 4,530 Views Citations
This article belongs to the Special Issue on Software Metric and Software Quality
Contribution to the Hydrochemical Study of Groundwater from the Continental Terminal in Saloum (Articles)

Sakhel Ndong, Baba Ngom, Saidou Ndao, Alioune Ly, Saliou Ngom, Séni Tamba

Journal of Water Resource and Protection Vol.14 No.2, January 28, 2022

DOI: 10.4236/jwarp.2022.142004 398 Downloads 1,568 Views Citations

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