Marcus Lundberg

Marcus Lundberg

Uppsala University - Uppsala / Sweden
Natural Sciences / Chemical Sciences
AD Scientific Index ID: 1134681
Uppsala Universitet
person_outline Marcus Lundberg's MOST POPULAR ARTICLES
1-) OpenMolcas: From source code to insightI Fdez. Galván, M Vacher, A Alavi, C Angeli, F Aquilante, J Autschbach, ...Journal of chemical theory and computation 15 (11), 5925-5964, 20194432019
2-) Modern quantum chemistry with [Open] MolcasF Aquilante, J Autschbach, A Baiardi, S Battaglia, VA Borin, LF Chibotaru, ...The Journal of Chemical Physics 152 (21), 20203142020
3-) Quantifying the effects of the self-interaction error in DFT: When do the delocalized states appear?M Lundberg, PEM SiegbahnThe Journal of chemical physics 122 (22), 224103, 20053042005
4-) Parameter calibration of transition-metal elements for the spin-polarized self-consistent-charge density-functional tight-binding (DFTB) method: Sc, Ti, Fe, Co, and NiG Zheng, HA Witek, P Bobadova-Parvanova, S Irle, DG Musaev, ...Journal of Chemical Theory and Computation 3 (4), 1349-1367, 20072552007
5-) Oxyl radical required for OO bond formation in synthetic Mn-catalystM Lundberg, MRA Blomberg, PEM SiegbahnInorganic chemistry 43 (1), 264-274, 20041542004