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11th German Conference on Chemoinformatics (GCC 2015) : Fulda, Germany. 8-10 November 2015.
Fechner U, de Graaf C, Torda AE, Güssregen S, Evers A, Matter H, Hessler G, Richmond NJ, Schmidtke P, Segler MHS, Waller MP, Pleik S, Shea JE, Levine Z, Mullen R, van den Broek K, Epple M, Kuhn H, Truszkowski A, Zielesny A, Fraaije JH, Gracia RS, Kast SM, Bulusu KC, Bender A, Yosipof A, Nahum O, Senderowitz H, Krotzky T, Schulz R, Wolber G, Bietz S, Rarey M, Zimmermann MO, Lange A, Ruff M, Heidrich J, Onlia I, Exner TE, Boeckler FM, Bermudez M, Firaha DS, Hollóczki O, Kirchner B, Tautermann CS, Volkamer A, Eid S, Turk S, Rippmann F, Fulle S, Saleh N, Saladino G, Gervasio FL, Haensele E, Banting L, Whitley DC, Oliveira Santos JS, Bureau R, Clark T, Sandmann A, Lanig H, Kibies P, Heil J, Hoffgaard F, Frach R, Engel J, Smith S, Basu D, Rauh D, Kohlbacher O, Boeckler FM, Essex JW, Bodnarchuk MS, Ross GA, Finkelmann AR, Göller AH, Schneider G, Husch T, Schütter C, Balducci A, Korth M, Ntie-Kang F, Günther S, Sippl W, Mbaze LM, Ntie-Kang F, Simoben CV, Lifongo LL, Ntie-Kang F, Judson P, Barilla J, Lokajíček MV, Pisaková H, Simr P, Kireeva N, Petrov A, Ostroumov D, Solovev VP, Pervov VS, Friedrich NO, Sommer K, Rarey M, Kirchmair J, Proschak E, Weber J, Moser D, Kalinowski L, Ache… See abstract for full author list ➔ Fechner U, et al. Among authors: firaha ds. J Cheminform. 2016 Apr 26;8(Suppl 1):18. doi: 10.1186/s13321-016-0119-5. J Cheminform. 2016. PMID: 29270804 Free PMC article. No abstract available.
Computer-Aided Design of Ionic Liquids as CO2 Absorbents.
Firaha DS, Hollóczki O, Kirchner B. Firaha DS, et al. Angew Chem Int Ed Engl. 2015 Jun 26;54(27):7805-9. doi: 10.1002/anie.201502296. Epub 2015 May 27. Angew Chem Int Ed Engl. 2015. PMID: 26013596
Ion pairing in ionic liquids.
Kirchner B, Malberg F, Firaha DS, Hollóczki O. Kirchner B, et al. Among authors: firaha ds. J Phys Condens Matter. 2015 Nov 25;27(46):463002. doi: 10.1088/0953-8984/27/46/463002. Epub 2015 Oct 28. J Phys Condens Matter. 2015. PMID: 26509867
Basic Phosphonium Ionic Liquids as Wittig Reagents.
Firaha DS, Gibalova AV, Hollóczki O. Firaha DS, et al. ACS Omega. 2017 Jun 22;2(6):2901-2911. doi: 10.1021/acsomega.7b00230. eCollection 2017 Jun 30. ACS Omega. 2017. PMID: 31457625 Free PMC article.
Carbene formation in ionic liquids: spontaneous, induced, or prohibited?
Hollóczki O, Firaha DS, Friedrich J, Brehm M, Cybik R, Wild M, Stark A, Kirchner B. Hollóczki O, et al. Among authors: firaha ds. J Phys Chem B. 2013 May 16;117(19):5898-907. doi: 10.1021/jp4004399. Epub 2013 May 6. J Phys Chem B. 2013. PMID: 23566121
The furan microsolvation blind challenge for quantum chemical methods: First steps.
Gottschalk HC, Poblotzki A, Suhm MA, Al-Mogren MM, Antony J, Auer AA, Baptista L, Benoit DM, Bistoni G, Bohle F, Dahmani R, Firaha D, Grimme S, Hansen A, Harding ME, Hochlaf M, Holzer C, Jansen G, Klopper W, Kopp WA, Kröger LC, Leonhard K, Mouhib H, Neese F, Pereira MN, Ulusoy IS, Wuttke A, Mata RA. Gottschalk HC, et al. J Chem Phys. 2018 Jan 7;148(1):014301. doi: 10.1063/1.5009011. J Chem Phys. 2018. PMID: 29306273 Free article.
14 results