• Design of New Anilines with Predicted Values of Their Octanol/Water Partition Coefficients ()
  Fatogoma Diarrassouba
  Computational Chemistry Vol.14 No.4,  October 22, 2026
  DOI: 10.68624/cc.2026.144008  45 Downloads   226 Views   Citations
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• Prediction of the Hydrophobic Character of Aromatic Amines by Quantum Chemistry and QSPR Methods: The Case of Aniline and Its Derivatives ()
  Fatogoma Diarrassouba, Kafoumba Bamba, Nahossé Ziao
  Computational Chemistry Vol.14 No.4,  September 18, 2026
  DOI: 10.68624/cc.2026.144007  121 Downloads   530 Views   Citations
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• DFT Study of the Reactivity of Some Methylenepyran Derivatives Used in Dye-Sensitized Solar Cells ()
  Yacouba Bakayoko, Amon Benjamine Assoma, Georges Stéphane Dembélé, Mawa Kone
  Computational Chemistry Vol.14 No.4,  September 4, 2026
  DOI: 10.68624/cc.2026.144006  25 Downloads   269 Views   Citations
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• Semiempirical Molecular-Orbital Calculations of the Atomization Energies of Organic Molecules ()
  Robert W. Smithwick, Sharani Roy
  Computational Chemistry Vol.14 No.4,  August 17, 2026
  DOI: 10.68624/cc.2026.144005  37 Downloads   265 Views   Citations
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• Theoretical Analysis of the Light Fastness of Reactive Dyes on Cellulose ()
  Krzysztof Wojciechowski
  Computational Chemistry Vol.14 No.3,  July 31, 2026
  DOI: 10.4236/cc.2026.143004  33 Downloads   184 Views   Citations
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• Computational Investigation of Mannopyranoside Derivatives as Potential Dopamine D2 Inhibitors Using DFT and Molecular Docking Approaches ()
  Md. Raihan Sarker, Sarkar M. A. Kawsar
  Computational Chemistry Vol.14 No.3,  June 30, 2026
  DOI: 10.4236/cc.2026.143003  35 Downloads   278 Views   Citations
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• Tunable Energetic Stabilization Governs Self- and Mixed-Aggregation of Möbius and Bracelet Cyclotides ()
  Nithikumar R. Yadav, Eric N. Njabon, Issofa Patouossa, Neville Y. Forlemu
  Computational Chemistry Vol.14 No.2,  March 20, 2026
  DOI: 10.4236/cc.2026.142002  93 Downloads   392 Views   Citations
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