Search Results - "Vollhardt, Dieter"

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    Molecular area dependences of monolayers at the air/water interface by Kartashynska, Elena S., Vollhardt, Dieter

    Published in JCIS open (Amsterdam) (01-10-2022)
    “…The quantum chemical approach and a thermodynamic model for amphiphilic monolayers are used to find the temperature dependence of the area per amphiphile…”
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    Emergence of a common energy scale close to the orbital-selective Mott transition by Greger, Markus, Kollar, Marcus, Vollhardt, Dieter

    Published in Physical review letters (23-01-2013)
    “…We calculate the spectra and spin susceptibilities of a Hubbard model with two bands having different bandwidths but the same on-site interaction, with…”
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    Scaling behavior of the Compton profile of alkali metals by Sekania, Michael, Appelt, Wilhelm H., Benea, Diana, Ebert, Hubert, Vollhardt, Dieter, Chioncel, Liviu

    Published in Physica A (01-01-2018)
    “…The contribution of the valence electrons to the Compton profiles of the crystalline alkali metals is calculated using density functional theory. We show that…”
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    Effect of Molecular Chirality on the Morphology of Biomimetic Langmuir Monolayers by Nandi, Nilashis, Vollhardt, Dieter

    Published in Chemical reviews (01-10-2003)
    “…The authors discuss the various experimental and theoretical results concerning the monolayers composed of chiral molecules as well as their microscopic…”
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    Exact many-electron ground states on the diamond Hubbard chain by Gulácsi, Zsolt, Kampf, Arno, Vollhardt, Dieter

    Published in Physical review letters (13-07-2007)
    “…Exact ground states of interacting electrons on the diamond Hubbard chain in a magnetic field are constructed which exhibit a wide range of properties such as…”
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    Molecular Interactions in Amphiphilic Assemblies: Theoretical Perspective by Nandi, Nilashis, Vollhardt, Dieter

    Published in Accounts of chemical research (01-05-2007)
    “…In recent experimental studies, a number of morphological features have been revealed on amphiphilic assemblies that need consideration of the molecular chiral…”
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    Relationship between the Bulk and Surface Basicity of Aliphatic Amines: A Quantum Chemical Approach by Kartashynska, Elena S, Vysotsky, Yuri B, Vollhardt, Dieter, Fainerman, Valentin B

    Published in ACS omega (15-12-2020)
    “…To assess the surface basicity constant (pK b) of aliphatic amine films, the use of a theoretical approach recently developed to evaluate the pK a of…”
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    Theoretical Description of Mixed Film Formation at the Air/Water Interface: Carboxylic Acids–Alcohols by Kartashynska, Elena S, Vysotsky, Yuri B, Vollhardt, Dieter, Fainerman, Valentin B, Zakharov, Anatoly Yu

    Published in ACS omega (31-12-2018)
    “…The thermodynamic parameters of formation and clusterization of aliphatic alcohols C n H2n+1OH and carboxylic acids C n H2n+1COOH (n = 6–16) are calculated…”
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    Ferromagnetism and Kondo insulator behavior in the disordered periodic Anderson model by Yu, Unjong, Byczuk, Krzysztof, Vollhardt, Dieter

    Published in Physical review letters (20-06-2008)
    “…The effect of binary alloy disorder on the ferromagnetic phases of f-electron materials is studied within the periodic Anderson model. We find that disorder in…”
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    2D-monolayer formation of 3-monoacyl-sn-glycerols at the air/water interface. A comprehensive quantum chemical approach by Kartashynska, Elena S., Vollhardt, Dieter

    “…Thermodynamic and structural aspects of the monolayer film formation of 3-monoacyl-sn-glycerol homologous series with the alkyl chain length n = 7–18 at the…”
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    Exact Many-Electron Ground States on Diamond and Triangle Hubbard Chains by Gulácsi, Zsolt, Kampf, Arno, Vollhardt, Dieter

    “…We construct exact ground states of interacting electrons on triangle and diamond Hubbard chains. The construction requires (i) a rewriting of the Hamiltonian…”
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    Miscibility of alkanol and fluoroalkanol in Langmuir film at the air/water interface by Takiue, Takanori, Vollhardt, Dieter

    “…The miscibility of 1,1,2,2-tetrahydrohenicosafluorododecanol (TFC 12OH) and 1-tetradecanol (C 14OH) in Langmuir film at the air/water surface is studied by…”
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    Monolayer Characteristics of 1‑Monostearoyl-rac-glycerol at the Air–Water Interface by Vollhardt, Dieter, Brezesinski, Gerald

    Published in Journal of physical chemistry. C (07-05-2015)
    “…Although monoacylglycerol monolayers have been used as highly informative systems, so far general information about their phase behavior, especially that of…”
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    The Complete Phase Diagram of Monolayers of Enantiomeric N‑Stearoyl-threonine Mixtures with Preferred Heterochiral Interactions by Mukhina, Tetiana, Richter, Lars, Vollhardt, Dieter, Brezesinski, Gerald, Schneck, Emanuel

    Published in Langmuir (18-10-2022)
    “…Langmuir monolayers of chiral amphiphiles are well-controlled model systems for the investigation of phenomena related to stereochemistry. Here, we have…”
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