Building cavities in a fluid of spherical or rod-like particles a contribution to the solvation free energy in isotropic and anisotropic polarizable continuum model

von Benzi, Caterina
Veröffentlicht in: Journal of computational chemistry (2005)

Reliable NMR chemical shifts for molecules in solution by methods rooted in density functional theory

von Benzi, Caterina
Veröffentlicht in: Magnetic resonance in chemistry : MRC (2004)

Quantum mechanical study of the conformational behavior of proline and 4R-hydroxyproline dipeptide analogues in vacuum and in aqueous solution

von Benzi, Caterina
Veröffentlicht in: Journal of computational chemistry (2002)