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Modern quantum chemistry with [Open]Molcas.
Aquilante F, Autschbach J, Baiardi A, Battaglia S, Borin VA, Chibotaru LF, Conti I, De Vico L, Delcey M, Fdez Galván I, Ferré N, Freitag L, Garavelli M, Gong X, Knecht S, Larsson ED, Lindh R, Lundberg M, Malmqvist PÅ, Nenov A, Norell J, Odelius M, Olivucci M, Pedersen TB, Pedraza-González L, Phung QM, Pierloot K, Reiher M, Schapiro I, Segarra-Martí J, Segatta F, Seijo L, Sen S, Sergentu DC, Stein CJ, Ungur L, Vacher M, Valentini A, Veryazov V. Aquilante F, et al. Among authors: odelius m. J Chem Phys. 2020 Jun 7;152(21):214117. doi: 10.1063/5.0004835. J Chem Phys. 2020. PMID: 32505150
Tracking C-H activation with orbital resolution.
Jay RM, Banerjee A, Leitner T, Wang RP, Harich J, Stefanuik R, Wikmark H, Coates MR, Beale EV, Kabanova V, Kahraman A, Wach A, Ozerov D, Arrell C, Johnson PJM, Borca CN, Cirelli C, Bacellar C, Milne C, Huse N, Smolentsev G, Huthwelker T, Odelius M, Wernet P. Jay RM, et al. Among authors: odelius m. Science. 2023 Jun 2;380(6648):955-960. doi: 10.1126/science.adf8042. Epub 2023 Jun 1. Science. 2023. PMID: 37262165
Parity violation in resonant inelastic soft x-ray scattering at entangled core holes.
Söderström J, Ghosh A, Kjellsson L, Ekholm V, Tokushima T, Såthe C, Velasquez N, Simon M, Björneholm O, Duda L, Naves de Brito A, Odelius M, Liu JC, Wang J, Kimberg V, Agåker M, Rubensson JE, Gel'mukhanov F. Söderström J, et al. Among authors: odelius m. Sci Adv. 2024 Feb 16;10(7):eadk3114. doi: 10.1126/sciadv.adk3114. Epub 2024 Feb 14. Sci Adv. 2024. PMID: 38354244 Free article.
107 results