Theoretical study on the molecular structures of X-, α-, and β-types of lithium phthalocyanine dimer

von Sumimoto, Michinori
Veröffentlicht in: Journal of computational chemistry (2011)

A free-energy perturbation method based on Monte Carlo simulations using quantum mechanical calculations (QM/MC/FEP method) application to highly solvent-dependent reactions

von Hori, Kenji
Veröffentlicht in: Journal of computational chemistry (2011)