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The Dalton quantum chemistry program system.
Aidas K, Angeli C, Bak KL, Bakken V, Bast R, Boman L, Christiansen O, Cimiraglia R, Coriani S, Dahle P, Dalskov EK, Ekström U, Enevoldsen T, Eriksen JJ, Ettenhuber P, Fernández B, Ferrighi L, Fliegl H, Frediani L, Hald K, Halkier A, Hättig C, Heiberg H, Helgaker T, Hennum AC, Hettema H, Hjertenæs E, Høst S, Høyvik IM, Iozzi MF, Jansík B, Jensen HJ, Jonsson D, Jørgensen P, Kauczor J, Kirpekar S, Kjærgaard T, Klopper W, Knecht S, Kobayashi R, Koch H, Kongsted J, Krapp A, Kristensen K, Ligabue A, Lutnæs OB, Melo JI, Mikkelsen KV, Myhre RH, Neiss C, Nielsen CB, Norman P, Olsen J, Olsen JM, Osted A, Packer MJ, Pawlowski F, Pedersen TB, Provasi PF, Reine S, Rinkevicius Z, Ruden TA, Ruud K, Rybkin VV, Sałek P, Samson CC, de Merás AS, Saue T, Sauer SP, Schimmelpfennig B, Sneskov K, Steindal AH, Sylvester-Hvid KO, Taylor PR, Teale AM, Tellgren EI, Tew DP, Thorvaldsen AJ, Thøgersen L, Vahtras O, Watson MA, Wilson DJ, Ziolkowski M, Agren H. Aidas K, et al. Among authors: coriani s. Wiley Interdiscip Rev Comput Mol Sci. 2014 May;4(3):269-284. doi: 10.1002/wcms.1172. Wiley Interdiscip Rev Comput Mol Sci. 2014. PMID: 25309629 Free PMC article.
Core spectroscopy of oxazole.
Schnack-Petersen AK, Tenorio BNC, Coriani S, Decleva P, Troß J, Ramasesha K, Coreno M, Totani R, Röder A. Schnack-Petersen AK, et al. Among authors: coriani s. J Chem Phys. 2022 Dec 7;157(21):214305. doi: 10.1063/5.0122088. J Chem Phys. 2022. PMID: 36511550
Polypharmacology-Labeled Molecular Networking: An Analytical Technology Workflow for Accelerated Identification of Multiple Bioactive Constituents in Complex Extracts.
Zhao Y, Gericke O, Li T, Kjaerulff L, Kongstad KT, Heskes AM, Møller BL, Jørgensen FS, Venter H, Coriani S, Semple SJ, Staerk D. Zhao Y, et al. Among authors: coriani s. Anal Chem. 2023 Mar 7;95(9):4381-4389. doi: 10.1021/acs.analchem.2c04859. Epub 2023 Feb 20. Anal Chem. 2023. PMID: 36802535
Early-Career and Emerging Researchers in Physical Chemistry Volume 2.
Alexandrova AN, Biteen JS, Coriani S, Geiger FM, Gewirth AA, Goward GR, Guo H, Huang L, Li JF, Liedl T, Link S, Liu ZP, Maiti S, Orr-Ewing AJ, Osborn DL, Pfaendtner J, Roux B, Schmid F, Schmidt JR, Schneider WF, Slipchenko LV, Solomon GC, van Bokhoven JA, Van Speybroeck V, Ye S, Crawford TD, Zanni MT, Hartland GV, Shea JE. Alexandrova AN, et al. Among authors: coriani s. J Phys Chem B. 2023 Nov 2;127(43):9211-9214. doi: 10.1021/acs.jpcb.3c06596. J Phys Chem B. 2023. PMID: 37915223 No abstract available.
155 results