Modeling the hydrogen bonds, pi-stacking and solvent effects in DNA

NMR of a Lead – Platinum superatom

Pt σ-donation induces strong relativistic effects on 29Si NMR

Charge density and NMR unravel Ni-agostic bonding

Hydrogen bonds in guanine quartets: cooperative effects

Water adsorption on graphene influenced by silica support

NEXAFS spectra of (metallo)phthalocyanines with DFT-TS

Controlling charge transfer to/from the Cu(111) surface through benzene functionalization

Chemical analysis of bicyclo(1.1.1) (R2E)3Bi2 complexes

Encapsulated actinides predicted to fulfill 32-electron rule