S. Koudjina

发表

Elimination of Thiophenic Compounds by Cycloaddition with Ethylene for an Efficient Purification of Fuels: A DFT Study

M. Badawi, F. Richard, Simplice Koudjina, 2020, Topics in Catalysis.

Optoelectronic design and charge transport properties of Benzodifuran (BDF) isomers for organic electronic devices: DFT/TD-DFT insights.

Prabhakar Chetti, Simplice Koudjina, Vipin Kumar, 2022, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Enhanced open-circuit voltage in polymer solar cells by dithieno[3,2-b:2′,3′-d]pyrrole N-acylation

Wouter Vanormelingen, W. Maes, J. Kesters, 2014 .

Quantum chemical hydrogenolysis strategy for elimination of heteroatoms in biomass homologous organic compounds based on oxolane and thiolane.

T. Mahmood, Naveen Kosar, M. Badawi, 2022, Journal of molecular graphics & modelling.

Benzodithiophene (BDT) and benzodiselenophene (BDSe) isomers’ charge transport properties for organic optoelectronic devices

A. Tripathi, Prabhakar Chetti, Vipin Kumar, 2023, Journal of Sulfur Chemistry.

Quantum mechanistic study of furan and 2-methylfuran hydrodeoxygenation on molybdenum and tungsten sulfide clusters

M. Badawi, J. Mensah, Simplice Koudjina, 2019, Journal of Molecular Modeling.

Fluorination as an effective tool to increase the open-circuit voltage and charge carrier mobility of organic solar cells based on poly(cyclopenta[2,1-b:3,4-b′]dithiophene-alt-quinoxaline) copolymers

Wouter Vanormelingen, W. Maes, J. Kesters, 2015 .

Impact of Organic Dye-Photosensitizer on TiO2 Nanocrystalline Surface for High Performance Organic Electronic Devices: A Computational Insight

Prabhakar Chetti, J. Gbénou, Vipin Kumar, 2023, Journal of Photochemistry and Photobiology A: Chemistry.

Conceptions of Vibrational Signatures Based on Chiral/Helical Functionalized Helicenes Nanostructures: Analyzed of Normal and Identical Modes

Simplice Koudjina, Nobel Kouakou N’guessan, Gaston A. Kpotin, 2020 .

Mechanistic enhanced cell voltage based on halides doped metal oxide fullerenes for use in Li-ion batteries: Insights from DFT intuition

M. A. Gilani, K. Ayub, Naveen Kosar, 2023, Diamond and Related Materials.

Theoretical study of the catalytic hydrodeoxygenation of furan, methylfuran and benzofurane on MoS2

S. Gueddida, Guy Y. S. Atohoun, W. G. Kanhounnon, 2024, RSC advances.