Perovskite ZrTiPbO32 Density Functional Theory DFT - Articles

Computational Study for the Aromatic Nucleophilic Substitution Reaction on 1-Dimethylamino-2,4-bis(trifluoroacetyl)-naphthalene with Amines (Articles)

Norio Ota, Tomohiro Nakada, Takumi Shintani, Yasuhiro Kamitori, Etsuji Okada

International Journal of Organic Chemistry Vol.8 No.3, August 2, 2018

DOI: 10.4236/ijoc.2018.83020 1,537 Downloads 3,803 Views Citations
Chemical Reactivity Properties, Drug-Likeness Features and Bioactivity Scores of the Cholecystokinin Peptide Hormone (Articles)

Norma Flores-Holguín, Juan Frau, Daniel Glossman-Mitnik

Computational Molecular Bioscience Vol.9 No.2, June 28, 2019

DOI: 10.4236/cmb.2019.92004 805 Downloads 2,125 Views Citations
Spectroscopic Characterization, Molecular Modeling and DFT/TD-DFT/PCM Calculations of Novel Hydrogen-Bonded Charge Transfer Complex between Chloranilic Acid and 2-Amino-4,6-Dimethylpyridine (Articles)

Khairia M. Al-Ahmary, Fatimah A. Alshehri, Faten M. Atlam, Mohamed K. Awad

Open Journal of Physical Chemistry Vol.10 No.1, February 13, 2020

DOI: 10.4236/ojpc.2020.101001 1,033 Downloads 3,506 Views Citations
Key Role of Some Specific Occupied Molecular Orbitals of Short Chain n-Alkanes in Their Surface Tension and Reaction Rate Constants with Hydroxyl Radicals: DFT Study (Articles)

Mikhail Yu Gorbachev, Natalia N. Gorinchoy, Ion Arsene

International Journal of Organic Chemistry Vol.11 No.1, January 29, 2021

DOI: 10.4236/ijoc.2021.111001 719 Downloads 1,901 Views Citations
Theoretical Determination of Influence of the Metallic State of Oxidation toward Cytotoxic Activity: Case of Ruthenium Complexes (Articles)

Bamba Kafoumba, Ouattara Wawohinlin Patrice, Diarrassouba Fatogoma, Lamoussa Ouattara, Massapihanhoro Pierre Ouattara, Kouakou Nobel N’guessan, Ehouman Ahissan Donatien, Ziao Nahossé

Computational Chemistry Vol.9 No.2, April 30, 2021

DOI: 10.4236/cc.2021.92006 518 Downloads 1,933 Views Citations
Dyeing Thermodynamics and Supramolecular Structure of Lac Red on Protein Fibers (Articles)

Kewen Fu, Jian Li, Dongkai Qin, Luwei Shi, Xiangyu Ni, Kaikai Zhao, Dequan Xu, Ailin Yuan, Chunling Zheng

Journal of Textile Science and Technology Vol.8 No.2, May 26, 2022

DOI: 10.4236/jtst.2022.82008 332 Downloads 1,358 Views Citations
Molecular Orbital Nature of Solubility of Shot Chain n-Alkanes in Water and Their Reaction Rate Constants with Nitronium Cations: A DFT Study (Articles)

Mikhail Yu. Gorbachev, Natalia N. Gorinchoy

International Journal of Organic Chemistry Vol.12 No.2, June 9, 2022

DOI: 10.4236/ijoc.2022.122008 319 Downloads 1,243 Views Citations
Theoretical Investigation of Ru(II) Complexes as Photosensitizer for Photodynamic Therapy (Articles)

Bamba Kafoumba, Ouattara Lamoussa, Massapihanhoro Pierre Ouattara, Ouattara Wawohinlin Patrice, Diarrassouba Fatogoma, N’guessan Kouakou Nobel, Ehouman Ahissan Donatien, Ziao Nahossé

Computational Molecular Bioscience Vol.12 No.2, June 29, 2022

DOI: 10.4236/cmb.2022.122007 232 Downloads 1,129 Views Citations
Electronic Aspects of the Synergistic Antioxidant Interaction of Various Pairs “Phenolic Food Acid and Glutathione” in Their Reactions with the Stable Radical Cation ABTS^+· (Articles)

Mikhail Yu. Gorbachev, Natalia N. Gorinchoy, Iolanta I. Balan

International Journal of Organic Chemistry Vol.13 No.3, September 26, 2023

DOI: 10.4236/ijoc.2023.133008 302 Downloads 1,140 Views Citations
Theoretical Investigation on the Stability and Reactivity of Imidazo [1,2-a] Pyridine N-Acylhydrazone Derivatives Using Density Functional Theory (Articles)

Camara Tchambaga Etienne, Sangare Kassoum, Dosso Ouehi, Ablo Evrard, Sekou Diomande, Souleymane Coulibaly, Siomenan Coulibali

Computational Chemistry Vol.12 No.1, January 31, 2024

DOI: 10.4236/cc.2024.121001 223 Downloads 854 Views Citations
Hybrid Singular Parameter Phasor Measurement Based on the Discrete Fourier Transform (DFT)-Adaptive Artificial Neural Network (ADALINE) Algorithm (Articles)

Gabriel Musonda, Charles Lubobya, Ackim Zulu

Journal of Power and Energy Engineering Vol.13 No.9, September 24, 2025

DOI: 10.4236/jpee.2025.139019 52 Downloads 337 Views Citations
Predicting Framed Decisions: Simulation or Theory? (Articles)

Anton Kühberger, Claudia Luger-Bazinger

Psychology Vol.7 No.6, June 27, 2016

DOI: 10.4236/psych.2016.76095 4,143 Downloads 5,425 Views Citations
This article belongs to the Special Issue on Cognitive Psychology
Walnut Trim down Lipid Profile and BMI in Obese Male in Different Ethnic Groups of Quetta Population, Pakistan (Articles)

Rehana Mushtaq, Rubina Mushtaq, Sobia Khwaja, Zahida Tasawar Khan

Food and Nutrition Sciences Vol.4 No.10, September 25, 2013

DOI: 10.4236/fns.2013.410139 4,497 Downloads 6,496 Views Citations
Analytical Evaluation of Energy and Electron Concentrations in Quantum Wells of the High Electron Mobility Transistors (Articles)

Salih Saygi

Open Journal of Applied Sciences Vol.4 No.3, March 11, 2014

DOI: 10.4236/ojapps.2014.43014 3,670 Downloads 5,663 Views Citations
Investigation of the Behavior of a Jet Issued into Two-Layer Density-Stratified Fluid (Articles)

Shogo Shakouchi, Shota Fukue, Tomomi Uchiyama

Journal of Flow Control, Measurement & Visualization Vol.3 No.1, December 15, 2014

DOI: 10.4236/jfcmv.2015.31001 4,110 Downloads 5,266 Views Citations
A New Formulation to the Point Kinetics Equations Considering the Time Variation of the Neutron Currents (Articles)

Anderson Lupo Nunes, Aquilino Senra Martinez, Fernando Carvalho da Silva, Daniel Artur Pinheiro Palma

World Journal of Nuclear Science and Technology Vol.5 No.1, January 29, 2015

DOI: 10.4236/wjnst.2015.51006 5,368 Downloads 8,141 Views Citations
Electronic Structure of Sodium Thiogermanate (Articles)

Dmytro Ivanovych Bletskan, Vasyl Vasyliovych Vakulchak, Vasyl Mykolaiovych Kabatsii

Open Journal of Inorganic Non-metallic Materials Vol.5 No.2, March 11, 2015

DOI: 10.4236/ojinm.2015.52004 4,632 Downloads 6,323 Views Citations
Improved Clustering Algorithm Based on Density-Isoline (Articles)

Bin Yan, Guangming Deng

Open Journal of Statistics Vol.5 No.4, June 10, 2015

DOI: 10.4236/ojs.2015.54032 3,178 Downloads 4,462 Views Citations
Apolipoprotein B Is a Good Tool for Screening Dyslipidaemia in Apparently Healthy Population (Articles)

L. V. Athiththan, M. F. F. Nusha, U. P. K. Hettiaratchi, P. P. R. Perera

Journal of Biosciences and Medicines Vol.4 No.5, May 19, 2016

DOI: 10.4236/jbm.2016.45006 2,212 Downloads 4,069 Views Citations
Atherosclerosis and the Cholesterol Theory: A Reappraisal (Articles)

Ang Peng Wong, Abdul Latiff Mohamed, Aleksandra Niedzwiecki

World Journal of Cardiovascular Diseases Vol.6 No.11, November 16, 2016

DOI: 10.4236/wjcd.2016.611044 2,556 Downloads 11,239 Views Citations

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