FG Theoretische Chemie

Publications 25 Items

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PreviewIssue DateTitleAuthor(s)Editor(s)
c9fd00059c.pdf.jpg20-Sep-2019Activation of tetrafluoropropenes by rhodium(i) germyl and silyl complexesTalavera, Maria; Müller, Robert; Ahrens, Theresia; von Hahmann, Cortney N.; Braun-Cula, Beatrice; Kaupp, Martin; Braun, Thomas-
schoen_etal_2015.pdf.jpg19-May-2015Defect topologies in chiral liquid crystals confined to mesoscopic channelsSchlotthauer, Sergej; Skutnik, Robert A.; Stieger, Tillmann; Schoen, Martin-
7.2.2020_The format.pdf.jpg8-Apr-2019The formation of biaxial nematic phases in binary mixtures of thermotropic liquid-crystals composed of uniaxial moleculesSkutnik, Robert A.; Lehmann, Louis; Püschel-Schlotthauer, Sergej; Jackson, George; Schoen, Martin-
ncomms15550.pdf.jpg30-May-2017Hydrodynamic cavitation in Stokes flow of anisotropic fluidsStieger, Tillmann; Agha, Hakam; Schoen, Martin; Mazza, Marco G.; Sengupta, Anupam-
Schoen_article_2018_.pdf.jpg3-Aug-2018Mean-field density functional theory of a nanoconfined classical, three-dimensional Heisenberg fluid. II. The interplay between molecular packing and orientational orderWandrei, Stefanie M.; Roth, Roland; Schoen, Martin-
Schoen_article_2016_ Mean_field.pdf.jpg17-May-2016Mean-field density functional theory of ananoconfined classical, three-dimensional Heisenberg fluid. I. The role of molecularanchoringCattes, Stefanie M.; Gubbins, Keith E.; Schoen, Martin-
Schoen_article_2016_AnovelModel.pdf.jpg25-Oct-2016A novel model for smectic liquid crystals: Elastic anisotropy and response to a steady-state flowPüschel-Schlotthauer, Sergej; Meiwes Turrión, Victor; Stieger, Tillmann; Grotjahn, Robin; Hall, Carol K.; Mazza, Marco G.; Schoen, Martin-
wandrei_stefanie.pdf.jpg2019The effect of dilution and confinement on the behavior of the classical Heisenberg fluidWandrei, Stefanie Maria-
perrin_elsa.pdf.jpg2019Investigating silica nanoparticles/polymer compositesPerrin, Elsa-
Wermuth 1983.pdf.jpg1983Einfluß der Reaktionsenthalpie auf die Bildung von "Twisted Intramolecular Charge Transfer" (TICT) — Anregungszustände in unpolaren Lösungsmitteln: p-substituierte N,N-DimethylanilineWermuth, Günter-
Bahr et al. 1985.pdf.jpg1985Smectic A1 — Smectic Ad Transition in Binary Mixtures of Compounds with Strongly Polar Terminal GroupsBahr, Ch.; Heppke, G.; Shashidhar, R.-
Menzel & Rapp 1986.pdf.jpg1986Kerr Orientation Influence on Excited State Absorption MeasurementsMenzel, Ralf; Rapp, Werner-
Heppke et al. 1987.pdf.jpg1987Esters of (S)-1,2-propanediol and (R,R)-2,3-butanediol — Chiral Compounds Inducing Cholesteric Phases with a Helix Inversion ·Heppke, G.; Lötzsch, D.; Oestreicher, F.-
gohr_sebastian.pdf.jpg2018Fully relativistic calculations of EPR and paramagnetic NMR parameters for heavy atom compoundsGohr, Sebastian-
c5sm01860a.pdf.jpg2016Coarse-grained treatment of the self-assembly of colloids suspended in a nematic host phasePüschel-Schlotthauer, Sergej; Stieger, Tillmann; Melle, Michael; Mazza, Marco G.; Schoen, Martin-
c5cc08265j.pdf.jpg2016Synthesis, structure and bonding of hexaphenyl thorium(IV): observation of a non-octahedral structurePedrick, Elizabeth A.; Hrobárik, Peter; Seaman, Lani A.; Wu, Guang; Hayton, Trevor W.-
c5dt04760a.pdf.jpg2016Characterization of the [3Fe-4S](0/1+) cluster from the D14C variant of Pyrococcus furiosus ferredoxin via combined NRVS and DFT analysesLauterbach, Lars; Gee, Leland B.; Pelmenschikov, Vladimir; Jenney, Francis E., Jr.; Kamali, Saeed; Yoda, Yoshitaka; Adams, Michael W. W.; Cramer, Stephen P.-
c6cp06129j.pdf.jpg2016Giant spin-orbit effects on H-1 and C-13 NMR shifts for uranium(VI) complexes revisited: role of the exchange-correlation response kernel, bonding analyses, and new predictionsGreif, Anja H.; Hrobárik, Peter; Autschbach, Jochen; Kaupp, Martin-
c6cp00990e.pdf.jpg2016New approaches for the calibration of exchange-energy densities in local hybrid functionalsMaier, Toni M.; Haasler, Matthias; Arbuznikov, Alexey V.; Kaupp, Martin-
pueschel-schlotthauer_sergej.pdf.jpg2017The impact of substrate curvature on the self-assembly of liquid crystalsPüschel-Schlotthauer, Sergej-
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