Description: The DFT code ADF is used in many areas of chemistry and materials science, and consists of the following parts: • The pure DFT code based on Slater type orbitals; ADF. • The periodic DFT code BAND shares a lot of functionality with ADF.d for treating large periodic molecular systems. • DFTB and MOPAC are fast approximate methods to study large molecules and big periodic systems, employing DFT-based and semi-empirical data, respectively. Fujinon Erd T22 Manual Dexterity. • Reaction dynamics in large complex systems can be studied with bond order based ReaxFF.

BAND is the periodic density functional. ReaxFF is a program for. SCM is a spin off from the Baerends group in Amsterdam. ADF has been developed.

• COSMO-RS uses quantum mechanical data from ADF to predict thermodynamic properties of solutions and mixtures (LogP, VLE, pKa, ). License and access policy: The license of ADF/Band is commercial. NOTUR holds a national license of the ADF program system, making usage of ADF/BAND available for all academic scientists in Norway. We have a national license for the following packages: • ADF & ADFGUI • BAND &BANDGUI • CRS • DFTB & DFTBGUI • GUI • REAXFF & REAXFFGUI • NBO6 (on Stallo only, but machine license available for all users of Stallo). Please note that this is an academic type license; meaning that research institutes not being part of Norwegian Universities must provide their own license to be able to use and publish results obtained with this code on NOTUR installlations.

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