Modeling UV/Vis Absorption Spectra of Food Colorants in Solution: Anthocyanins and Curcumin as Case Studies

Kohn-Sham fragment energy decomposition analysis

Multiscale modeling of surface enhanced fluorescence

Computational Spectroscopy of Aqueous Solutions: The Underlying Role of Conformational Sampling

Time-Dependent Multilevel Density Functional Theory

Deciphering the structure of deep eutectic solvents: A computational study from the solute's viewpoint

Effective fully polarizable QM/MM approaches to compute Raman and Raman Optical Activity spectra in aqueous solution

Close-Up Look at Electronic Spectroscopic Signatures of Common Pharmaceuticals in Solution

Multiscale Frozen Density Embedding/Molecular Mechanics Approach for Simulating Magnetic Response Properties of Solvated Systems

Computational Insights into the Adsorption of Ligands on Gold Nanosurfaces