SimuRank

the scientific simulation, molecular modeling, and data analysis software directory

Tag: Transition metal modeling

ADF

ADF (Amsterdam Density Functional) is an accurate, parallelized, powerful computational chemistry program to understand and predict chemical structure and reactivity with density functional theory (DFT). Heavy elements and transition metals are accurately modeled with ADF’s reliable relativistic ZORA approach and all-electron basis sets for the whole periodic table. A vast range of spectroscopic properties and […]

SimuRank © 2015 | Privacy Policy Frontier Theme