1. QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials;Giannozzi;J. Phys.: Condens. Matter,2009
2. The GAMESS-UK electronic structure package: algorithms, developments and applications;Guest;Mol. Phys.,2005
3. Chemistry with ADF;Velde;J. Comput. Chem.,2001
4. U. Becker, D. Ganyushin, A. Hansen, D.G. Liakos, C. Kollmar, S. Kossmann, T. Petrenko, C. Reimann, C. Riplinger, K. Sivalingam, E. Valeev, B. Wezisla, F. Wennmohs, F. Neese, ORCA 2.8.0, 2010.
5. SPINEVOLUTION: a powerful tool for the simulation of solid and liquid state NMR experiments;Veshtort;J. Magn. Reson.,2006