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

Comput. Chem. Vol.9 No.1, January 25, 2021
DOI: 10.4236/cc.2021.91005

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

Comput. Chem. Vol.9 No.1, January 22, 2021
DOI: 10.4236/cc.2021.91004

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

Comput. Chem. Vol.9 No.1, January 05, 2021
DOI: 10.4236/cc.2021.91003

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

Comput. Chem. Vol.9 No.1, December 07, 2020
DOI: 10.4236/cc.2021.91002

DFT Study of Dimerization Sites in Imidazo[1,2-a]pyridinyl-chalcone Series
Bibata Konate, Sopi Thomas Affi, Nahossé Ziao

Comput. Chem. Vol.9 No.1, December 04, 2020
DOI: 10.4236/cc.2021.91001