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Research ArticlePublished 3 June 2021
Application of the Screened Hydrogenic Model to Light Atoms
Robert W. Smithwick
Computational Chemistry
Abstract Full text (PDF)
Research ArticlePublished 30 April 2021
Comparative Theoretical Studies of the Reactivity and Stability of Selected Groups of Isomers with Carbon-Oxygen and Carbon-Nitrogen Bonds
Issofa Patouossa, Eric N. Njabon, Alphonse Emadak, Naomi Zshika
Computational Chemistry
Abstract Full text (PDF)
Research ArticlePublished 30 April 2021
Theoretical Determination of Influence of the Metallic State of Oxidation toward Cytotoxic Activity: Case of Ruthenium Complexes
Bamba Kafoumba, Ouattara Wawohinlin Patrice, Diarrassouba Fatogoma, Lamoussa Ouattara, Massapihanhoro Pierre Ouattara, Kouakou Nobel N’guessan, Ehouman Ahissan Donatien, Ziao Nahossé
Computational Chemistry
Abstract Full text (PDF)
Research ArticlePublished 9 April 2021
Comparing Two Automated Methods of DNA Extraction from Degraded Skeletal Remains
Linda Rubinstein
Forensic Medicine and Anatomy Research
Abstract Full text (PDF)
Research ArticlePublished 9 April 2021
3D Surface Digitization in Scientific Research and Product Development
Abhinav Sood, Varsha Dogra, Gayatri Pathmanathan
Forensic Medicine and Anatomy Research
Abstract Full text (PDF)
Research ArticlePublished 4 December 2020
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
Abstract Full text (PDF)
Research ArticlePublished 4 December 2020
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
Abstract Full text (PDF)
Research ArticlePublished 4 December 2020
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
Abstract Full text (PDF)
Research ArticlePublished 4 December 2020
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
Abstract Full text (PDF)
Research ArticlePublished 4 December 2020
DFT Study of Dimerization Sites in Imidazo[1,2-a]pyridinyl-chalcone Series
Bibata Konate, Sopi Thomas Affi, Nahossé Ziao
Computational Chemistry
Abstract Full text (PDF)

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Application of the Screened Hydrogenic Model to Light Atoms

Comparative Theoretical Studies of the Reactivity and Stability of Selected Groups of Isomers with Carbon-Oxygen and Carbon-Nitrogen Bonds

Theoretical Determination of Influence of the Metallic State of Oxidation toward Cytotoxic Activity: Case of Ruthenium Complexes

Comparing Two Automated Methods of DNA Extraction from Degraded Skeletal Remains

3D Surface Digitization in Scientific Research and Product Development

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

Theoretical Studies of Photodynamic Therapy Properties of Azopyridine δ-OsCl₂(Azpy)₂ Complex as a Photosensitizer by a TDDFT Method

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

Computational Stimulation and Experimental Study on Corrosion Inhibition Qualities of Emilia sonchifolia Leaf Extract for Copper (CU131729) in Hydrochloric Acid

DFT Study of Dimerization Sites in Imidazo[1,2-a]pyridinyl-chalcone Series

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Application of the Screened Hydrogenic Model to Light Atoms

Comparative Theoretical Studies of the Reactivity and Stability of Selected Groups of Isomers with Carbon-Oxygen and Carbon-Nitrogen Bonds

Theoretical Determination of Influence of the Metallic State of Oxidation toward Cytotoxic Activity: Case of Ruthenium Complexes

Comparing Two Automated Methods of DNA Extraction from Degraded Skeletal Remains

3D Surface Digitization in Scientific Research and Product Development

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

Theoretical Studies of Photodynamic Therapy Properties of Azopyridine δ-OsCl₂(Azpy)₂ Complex as a Photosensitizer by a TDDFT Method

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

Computational Stimulation and Experimental Study on Corrosion Inhibition Qualities of Emilia sonchifolia Leaf Extract for Copper (CU131729) in Hydrochloric Acid

DFT Study of Dimerization Sites in Imidazo[1,2-a]pyridinyl-chalcone Series