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2016 3
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Page 1
Conference Report.
Gershoni-Poranne R, Kolleth A. Gershoni-Poranne R, et al. Chimia (Aarau). 2018 Jun 27;72(6):436-439. doi: 10.2533/chimia.2018.436. Chimia (Aarau). 2018. PMID: 29941087 Free article. No abstract available.
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. J Chem Phys. 2020 Jun 7;152(21):214117. doi: 10.1063/5.0004835. J Chem Phys. 2020. PMID: 32505150
Sex-Specific Genetic and Transcriptomic Liability to Neuroticism.
Wendt FR, Pathak GA, Singh K, Stein MB, Koenen KC, Krystal JH, Gelernter J, Davis LK, Polimanti R. Wendt FR, et al. Biol Psychiatry. 2023 Feb 1;93(3):243-252. doi: 10.1016/j.biopsych.2022.07.019. Epub 2022 Aug 5. Biol Psychiatry. 2023. PMID: 36244801 Free PMC article.
Vibrational Density Matrix Renormalization Group.
Baiardi A, Stein CJ, Barone V, Reiher M. Baiardi A, et al. J Chem Theory Comput. 2017 Aug 8;13(8):3764-3777. doi: 10.1021/acs.jctc.7b00329. Epub 2017 Jul 25. J Chem Theory Comput. 2017. PMID: 28679054
Automated Selection of Active Orbital Spaces.
Stein CJ, Reiher M. Stein CJ, et al. J Chem Theory Comput. 2016 Apr 12;12(4):1760-71. doi: 10.1021/acs.jctc.6b00156. Epub 2016 Mar 21. J Chem Theory Comput. 2016. PMID: 26959891
27 results