Understanding reactivity of two newly synthetized imidazole derivatives by spectroscopic characterization and computational study Posted on January 30, 2018December 10, 2024 by Anonymous
Synthesis, spectroscopic analyses (FT-IR and NMR), vibrational study, chemical reactivity and molecular docking study and anti-tubercular activity of condensed oxadiazole and pyrazine derivatives Posted on January 30, 2018December 10, 2024 by Anonymous
Combined spectroscopic, DFT, TD-DFT and MD study of newly synthesized thiourea derivative Posted on January 30, 2018December 10, 2024 by Anonymous
Synthesis, characterization and computational study of the newly synthesized sulfonamide molecule Posted on January 30, 2018December 10, 2024 by Anonymous
Photocatalytic degradation of 4-amino-6-chlorobenzene-1,3-disulfonamide stable hydrolysis product of hydrochlorothiazide: Detection of intermediates and their toxicity Posted on January 30, 2018December 10, 2024 by Anonymous
Adsorption properties of graphene towards the ephedrine – A frequently used molecule in sport Posted on January 30, 2018December 10, 2024 by Anonymous
Unraveling the Orientation of Phosphors Doped in Organic Semiconducting Layers Posted on November 13, 2017December 10, 2024 by Anonymous
Benchmarking Commercial Conformer Ensemble Generators Posted on November 13, 2017December 10, 2024 by Anonymous
Multifaceted Peptide Assisted One-Pot Synthesis of Gold Nanoparticles for Plectin-1 Targeted Gemcitabine Delivery in Pancreatic Cancer Posted on November 9, 2017December 10, 2024 by Anonymous
Highly efficient implementation of pseudospectral time-dependent density-functional theory for the calculation of excitation energies of large molecules Posted on September 21, 2017December 10, 2024 by Anonymous
Investigating Protein-Peptide Interactions Using the Schr’dinger Computational Suite Posted on August 28, 2017December 10, 2024 by Anonymous
Improving Accuracy, Diversity, and Speed with Prime Macrocycle Conformational Sampling Posted on August 21, 2017December 10, 2024 by Anonymous