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Density functional theory study of nickel and copper single-atom catalysts on graphitic carbon nitride for benzene to phenol oxidation
Group News
Investigating the Release of Curcumin from Chitosan/Sodium Alginate Composite Wound Dressings Containing Magnesium Metal-Organic Framework
New candidates for the global minimum of medium-sized silicon clusters: A hybrid DFTB/DFT genetic algorithm applied to Si n , n = 8-80
Interaction between the Human OX2 Orexin Receptor and Suvorexant and Some of Its Analogues: SAPT (DFT) Interaction Energy Decomposition Analysis
Interaction between the Human OX2 Orexin Receptor and Suvorexant and Some of Its Analogues: SAPT (DFT) Interaction Energy Decomposition Analysis
Comprehensive Computational Investigation of the Porphyrin-Based COF as a Nanocarrier for Delivering Anti-Cancer Drugs: A Combined MD Simulation and DFT Calculation
Comprehensive Computational Investigation of the Porphyrin-Based COF as a Nanocarrier for Delivering Anti-Cancer Drugs: A Combined MD Simulation and DFT Calculation
Research projects
GSI-HADES (Darmstadt, GSI)
معظم حقمل
Theoretical studies on cyclic peptides
Identification and Dynamic Parameter Study
Studies on tautomerism in the triazoline dione
Groundwater studies of Kahnoj plain