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    530 Downloads  1,876 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    297 Downloads  702 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    330 Downloads  1,193 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    365 Downloads  1,287 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    336 Downloads  958 Views   Citations
  This article belongs to the Special Issue on