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Page 1
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: schimmelpfennig b. 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.
Trivalent Actinide Ions Showing Tenfold Coordination in Solution.
Weßling P, Schenk T, Braun F, Beele BB, Trumm S, Trumm M, Schimmelpfennig B, Schild D, Geist A, Panak PJ. Weßling P, et al. Among authors: schimmelpfennig b. Inorg Chem. 2020 Sep 8;59(17):12410-12421. doi: 10.1021/acs.inorgchem.0c01526. Epub 2020 Aug 14. Inorg Chem. 2020. PMID: 32794734
Interdisciplinary Round-Robin Test on Molecular Spectroscopy of the U(VI) Acetate System.
Müller K, Foerstendorf H, Steudtner R, Tsushima S, Kumke MU, Lefèvre G, Rothe J, Mason H, Szabó Z, Yang P, Adam CKR, André R, Brennenstuhl K, Chiorescu I, Cho HM, Creff G, Coppin F, Dardenne K, Den Auwer C, Drobot B, Eidner S, Hess NJ, Kaden P, Kremleva A, Kretzschmar J, Krüger S, Platts JA, Panak PJ, Polly R, Powell BA, Rabung T, Redon R, Reiller PE, Rösch N, Rossberg A, Scheinost AC, Schimmelpfennig B, Schreckenbach G, Skerencak-Frech A, Sladkov V, Solari PL, Wang Z, Washton NM, Zhang X. Müller K, et al. Among authors: schimmelpfennig b. ACS Omega. 2019 May 3;4(5):8167-8177. doi: 10.1021/acsomega.9b00164. eCollection 2019 May 31. ACS Omega. 2019. PMID: 31459906 Free PMC article.
53 results