Ab initio simulation of the IR spectra of pyrope, grossular, and andradite

von Zicovich-Wilson, C M
Veröffentlicht in: Journal of computational chemistry (2008)

Calculation of the vibration frequencies of alpha-quartz the effect of Hamiltonian and basis set

von Zicovich-Wilson, C M
Veröffentlicht in: Journal of computational chemistry (2004)

The calculation of the vibrational frequencies of crystalline compounds and its implementation in the CRYSTAL code

von Pascale, F
Veröffentlicht in: Journal of computational chemistry (2004)