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1952 2
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Page 1
OpenMolcas: From Source Code to Insight.
Fdez Galván I, Vacher M, Alavi A, Angeli C, Aquilante F, Autschbach J, Bao JJ, Bokarev SI, Bogdanov NA, Carlson RK, Chibotaru LF, Creutzberg J, Dattani N, Delcey MG, Dong SS, Dreuw A, Freitag L, Frutos LM, Gagliardi L, Gendron F, Giussani A, González L, Grell G, Guo M, Hoyer CE, Johansson M, Keller S, Knecht S, Kovačević G, Källman E, Li Manni G, Lundberg M, Ma Y, Mai S, Malhado JP, Malmqvist PÅ, Marquetand P, Mewes SA, Norell J, Olivucci M, Oppel M, Phung QM, Pierloot K, Plasser F, Reiher M, Sand AM, Schapiro I, Sharma P, Stein CJ, Sørensen LK, Truhlar DG, Ugandi M, Ungur L, Valentini A, Vancoillie S, Veryazov V, Weser O, Wesołowski TA, Widmark PO, Wouters S, Zech A, Zobel JP, Lindh R. Fdez Galván I, et al. Among authors: zobel jp. J Chem Theory Comput. 2019 Nov 12;15(11):5925-5964. doi: 10.1021/acs.jctc.9b00532. Epub 2019 Oct 1. J Chem Theory Comput. 2019. PMID: 31509407 Free article.
The ANO-R Basis Set.
Zobel JP, Widmark PO, Veryazov V. Zobel JP, et al. J Chem Theory Comput. 2020 Jan 14;16(1):278-294. doi: 10.1021/acs.jctc.9b00873. Epub 2019 Dec 4. J Chem Theory Comput. 2020. PMID: 31738554
peri-Acenoacene Ribbons with Zigzag BN-Doped Peripheries.
Franceschini M, Crosta M, Ferreira RR, Poletto D, Demitri N, Zobel JP, González L, Bonifazi D. Franceschini M, et al. Among authors: zobel jp. J Am Chem Soc. 2022 Nov 30;144(47):21470-21484. doi: 10.1021/jacs.2c06803. Epub 2022 Nov 17. J Am Chem Soc. 2022. PMID: 36394460 Free PMC article.
Photodynamics of the Molecular Ruby [Cr(ddpd)2]3.
Zobel JP, Radatz H, González L. Zobel JP, et al. Molecules. 2023 Feb 9;28(4):1668. doi: 10.3390/molecules28041668. Molecules. 2023. PMID: 36838661 Free PMC article.
Exploring effective approaches for haplotype block phasing.
Al Bkhetan Z, Zobel J, Kowalczyk A, Verspoor K, Goudey B. Al Bkhetan Z, et al. Among authors: zobel j. BMC Bioinformatics. 2019 Oct 30;20(1):540. doi: 10.1186/s12859-019-3095-8. BMC Bioinformatics. 2019. PMID: 31666002 Free PMC article.
Gossamer--a resource-efficient de novo assembler.
Conway T, Wazny J, Bromage A, Zobel J, Beresford-Smith B. Conway T, et al. Among authors: zobel j. Bioinformatics. 2012 Jul 15;28(14):1937-8. doi: 10.1093/bioinformatics/bts297. Epub 2012 May 18. Bioinformatics. 2012. PMID: 22611131
89 results