Turbomole 7.4 released

TURBOMOLE is a powerful Quantum Chemistry (QC) program package and one of the fastest and most stable codes available for standard quantum chemical applications (HF, DFT, MP2). Unlike many other programs, the main focus in the development of TURBOMOLE has not been to implement all new methods and fu...
Turbomole 7.4 released TURBOMOLE V7.4 has been released (July 2019) New features: NMR: Nuclear coupling constants (Fermi contact term) at HF and DFT level All-electron relativistic NMR shielding constants (one-component DLU-X2C) [url... Source: Turbomole Forum
Webpage: https://ift.tt/30VaX9W
Bengaluru: July 26, 2019 at 08:05PM