Volume 9, Number 1, January 2021 (Special Issue on )

Cover Page, Table of Contents and Others: PDF (size: 8067KB)

Hydrogen Bonds Sites of Amylose or Amylopectin from Starch at the ONION Level (B3LYP/6-311++G [d, p]: AM1) ()

Ablé Anoh Valentin, N’Guessan Boka Robert, Bamba El Hadji Sawaliho

Computational Chemistry Vol.9 No.1,  January 25, 2021

DOI: 10.4236/cc.2021.91005  40 Downloads  108 Views   Citations
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Theoretical Studies of Photodynamic Therapy Properties of Azopyridine δ-OsCl₂(Azpy)₂ Complex as a Photosensitizer by a TDDFT Method ()

Wawohinlin Patrice Ouattara, Kafoumba Bamba, Affi Sopi Thomas, Fatogoma Diarrassouba, Lamoussa Ouattara, Massapihanhoro Pierre Ouattara, Kouakou Nobel N'guessan, Mamadou Guy Richard Kone, Charles Guillaume Kodjo, Nahossé Ziao

Computational Chemistry Vol.9 No.1,  January 22, 2021

DOI: 10.4236/cc.2021.91004  27 Downloads  81 Views   Citations
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Corrosion Inhibition of Aluminium in Gas and Acid Media by Some Chalcone-Based N-(3-Aminopropyl)Imidazoles: TD-DFT-Based FMO, Conceptual DFT, QTAIM and EDA Studies ()

Fritzgerald Kogge Bine, Stanley Numbonui Tasheh, Nyiang Kennet Nkungli

Computational Chemistry Vol.9 No.1,  January 5, 2021

DOI: 10.4236/cc.2021.91003  49 Downloads  129 Views   Citations
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Computational Stimulation and Experimental Study on Corrosion Inhibition Qualities of Emilia sonchifolia Leaf Extract for Copper (CU131729) in Hydrochloric Acid ()

Raphael S. Oguike, Omolara Oni, Aisha U. Barambu, Davoud Balarak, Toma Buba, Chioma U. Okeke, Lawrence S. Momoh, Shakede Onimisi, Williams J. Nwada

Computational Chemistry Vol.9 No.1,  December 7, 2020

DOI: 10.4236/cc.2021.91002  48 Downloads  171 Views   Citations
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DFT Study of Dimerization Sites in Imidazo[1,2-a]pyridinyl-chalcone Series ()

Bibata Konate, Sopi Thomas Affi, Nahossé Ziao

Computational Chemistry Vol.9 No.1,  December 4, 2020

DOI: 10.4236/cc.2021.91001  62 Downloads  173 Views   Citations
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