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Predictive Study of the Influence of the Position of the Sulfonate Substituent on the Chemical Stability of Some Linear Alkylbenzene Sulfonate Isomers
by Jean Missa Ehouman, Kadjo François Kassi, Georges Stéphane Dembélé, Lamoussa Ouattara, Yafigui Traoré and Nahossé Ziao
Journal of Materials Physics and Chemistry. 2021, 9(2), 70-76. DOI: 10.12691/jmpc-9-2-5
Pub. Date: November 10, 2021Views: 7012Downloads: 10303
linear alkylbenzene sulfonate metasulfonate position influence chemical stability DFT
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Theoretical Investigation of Two Antiabetics Drugs as Corrosion Inhibitors of Aluminium in 1.0 M HCl: Combining DFT and QSPR Calculations
by Mougo André Tigori, Amadou Kouyaté, Assouma Dagri Cyrille, Victorien Kouakou and Paulin Marius Niamien
American Journal of Materials Science and Engineering. 2020, 8(1), 6-16. DOI: 10.12691/ajmse-8-1-2
Pub. Date: June 22, 2020Views: 9154Downloads: 12451
tolbutamide gliclazide density functional theory quantitative structure property relationship
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Mel-Frequency Cepstral Coefficient (MFCC) - a Novel Method for Speaker Recognition
by Asutosh das, Manas Ranjan Jena and Kalyan Kumar Barik
Digital Technologies. 2015, 1(1), 1-3. DOI: 10.12691/dt-1-1-1
Pub. Date: August 19, 2014Views: 34000Downloads: 28730
ASV ASI LPC Mel DFT LPCC MFCC
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Theoretical Study of the Toxicity of a Series of Amides Herbicides Using Quantitative Structure-activity Relationships
by DIOMANDE Sékou, DJABAN Akoua Déborah, KONATE Mory Latif and KONE Soleymane
Journal of Materials Physics and Chemistry. 2026, 14(1), 1-10. DOI: 10.12691/jmpc-14-1-1
Pub. Date: May 07, 2026Views: 199Downloads: 908
Amide herbicide Lethal dose QSAR DFT
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Second Order Rate Constant of Water Assisted Neutral Hydrolysis of Methyl Acetate: Project Based Activity for Post Graduate Students
by Mallelli Murali, Sanjeev Rachuru, Jagannadham Vandanapu, M. Sujatha, K B Shanti Sudha, Devarkonda A. Padmavathi and Adam A Skelton
World Journal of Chemical Education. 2025, 13(4), 98-102. DOI: 10.12691/wjce-13-4-2
Pub. Date: November 13, 2025Views: 1143Downloads: 5149
Methyl acetate Second order DFT
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A Comparative DFT Study of the Chemical Reactivity of Diastereoisomers Cis/trans Clovamides and Derivatives, Isolated from icacina mannii
by N’guessan Kan Lucien Yao, Doh Soro, Kouakou Nobel N’Guessan, Anoubilé Benié, Stephane Dembele, Philomène Akoua Kouassi-Yao and Nahosse Ziao
Journal of Materials Physics and Chemistry. 2025, 13(1), 8-15. DOI: 10.12691/jmpc-13-1-2
Pub. Date: June 26, 2025Views: 2096Downloads: 4752
Clovamides and derivatives DFT Diastereoisomers Antioxidant Fukui Indices
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Inhibition Effect of Tenoxicam on Copper Corrosion in HNO3: Experimental Study and DFT
by Ehouman Ahissan Donatien, Bamba Amara, Toure Hadja, Adou Eric, Kouakou Adjoumani Rodrigue, Mariko Kalifa, Dja Ahemou, Niamien Paulin and Yao Benjamin
American Journal of Materials Science and Engineering. 2023, 11(1), 7-15. DOI: 10.12691/ajmse-11-1-2
Pub. Date: March 07, 2023Views: 7604Downloads: 8899
Tenoxicam corrosion inhibition copper density functional theory (DFT) mass loss technique
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Theoretical Study of Reactivity and Stability of a Thiazine Derivative Series by the Density Functional Theory (DFT) Method
by Tuo Nanou Tiéba, Kouman Koffi Charles, Dembélé Georges Stéphane, Konaté Bibata, Soro Doh, Kodjo Charles Guillaume and Ziao Nahossé
Journal of Materials Physics and Chemistry. 2023, 11(1), 1-7. DOI: 10.12691/jmpc-11-1-1
Pub. Date: January 16, 2023Views: 5392Downloads: 6227
Thiazine DFT MEP reactivity stability
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Study by Quantum Chemical of Relationship between Electronic Structure and SecA Inhibitory Activity of a Series 5-cyano Thiouracil Derivatives
by Diomandé Sékou, Fanté Bamba, Bédé Affoué Lucie, Kanhounnon Gbèdodé Wilfried, Kpotin Assongba Gaston and Bamba El-Hadji Sawaliho
Journal of Materials Physics and Chemistry. 2022, 10(2), 43-48. DOI: 10.12691/jmpc-10-2-2
Pub. Date: September 27, 2022Views: 6038Downloads: 7039
5-cyano thiouracil QSAR antibacterial activity DFT/B3LYP
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The Elastic Properties of FemnP1−X Ax (A= Si, Se, Sn, In, x = 0.33) Materials: A DFT Study
by Anne Mwende Thirika, Winfred Mueni Mulwa, Nicholus Wambua Makau and Adentuji Bamidele Ibrahim
Journal of Materials Physics and Chemistry. 2022, 10(1), 10-16. DOI: 10.12691/jmpc-10-1-2
Pub. Date: January 23, 2022Views: 8263Downloads: 9950
machinability ductile phase transition hexagonal mechanical stability elastic
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