Effect of Dynamical Motion in ab Initio Calculations of Solid-State Nuclear Magnetic and Nuclear Quadrupole Resonance Spectra

von Wagle, Kamal
Veröffentlicht in: Chemistry of materials : a publication of the American Chemical Society (2024)

Calculation of chemical reaction energies using the AM05 density functional

von Muller, Richard P
Veröffentlicht in: Journal of computational chemistry (2010)