Correct dissociation behavior of radical ions such as in density functional calculations H Chermette, I Ciofini, F Mariotti, C Daul
The Journal of Chemical Physics 114 (4), 1447-1453, 2001
83 2001 Charge distribution in bis-dioxolene radical metal complexes. Synthesis and DFT characterization of dinuclear Co (III) and Cr (III) complexes with a mixed-valent, S= 1/2 … A Bencini, CA Daul, A Dei, F Mariotti, H Lee, DA Shultz, L Sorace
Inorganic Chemistry 40 (7), 1582-1590, 2001
69 2001 A posteriori corrections to systematic failures of standard density functionals: The dissociation of two-center three-electron systemsH Chermette, I Ciofini, F Mariotti, C Daul
The Journal of Chemical Physics 115 (24), 11068-11079, 2001
57 2001 Global Analytical Potential Energy Surface for the Electronic Ground State of NH3 from High Level ab Initio Calculations R Marquardt, K Sagui, J Zheng, W Thiel, D Luckhaus, S Yurchenko, ...
The Journal of Physical Chemistry A 117 (32), 7502-7522, 2013
47 2013 Density Functional Description of the Early Stages of the Dioxygenation of [(MeC(CH2 PPh2 )3 )M(catecholate)]+ Complexes [M = Co(III), Ir(III)]: Toward a … A Bencini, E Bill, F Mariotti, F Totti, A Scozzafava, A Vargas
Inorganic Chemistry 39 (7), 1418-1425, 2000
10 2000 Dodes (diagnostic nodes) for Guideline Manipulation PM Putora, M Blattner, A Papachristofilou, F Mariotti, B Paoli, L Plasswilm
Journal of Radiation Oncology Informatics 2 (1), 1-8, 2010
8 2010 Special issue of Molecular Physics dedicated to Martin Quack on the occasion of his 65th birthday RR Ernst, T Carrington, G Seyfang, F Merkt
Molecular Physics 111 (14-15), 1939-1963, 2013
6 2013 Ab initio study of some persistent nitroxide radicals L Horný, F Mariotti, M Quack
Chimia 62 (4), 256-256, 2008
5 2008 Theoretical Chemistry: Molecular Spectroscopy and Dynamics: Editorial and Review F Mariotti, M Quack, M Willeke, J Stohner
Chimia 58 (5), 263-263, 2004
4 * 2004 Continuous Symmetry Measure and Molecule Symmetrization F Mariotti
Chimia 60 (7-8), 403-403, 2006
2006 Potential Energy Hypersurface for Ammonia D Luckhaus, F Mariotti, R Marquardt, M Quack, K Sagui, W Thiel, ...
Chimia 60 (7-8), 472-472, 2006
2006 Contribution in Bioinorganic Chemistry-Density Functional Description of the Early Stages of the Dioxygenation of ((MeC (CH2-PPh2) 3) M (catecholate))+ Complexes (M= Co (III … A Bencini, E Bill, F Mariotti, F Tottl, A Scozzafava, A Vargas
Inorganic Chemistry 39 (7), 1418-1425, 2000
2000 Recommendation System for Continuing Education Courses B Paoli, F Mariotti, M Blattner, M Gay, D Bianchi, M Rossi