Search Results - ervinka, Ctirad

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  1. 1
    Cohesive properties of the crystalline phases of twenty proteinogenic -aminoacids from first-principles calculations

    Cohesive properties of the crystalline phases of twenty proteinogenic -aminoacids from first-principles calculations by ervinka, Ctirad, Fulem, Michal

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  2. 2
    Computational assessment of the crystallization tendency of 1-ethyl-3-methylimidazolium ionic liquids

    Computational assessment of the crystallization tendency of 1-ethyl-3-methylimidazolium ionic liquids by ervinka, Ctirad, Štejfa, Vojt ch

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  3. 3
    Towards reliable sublimation pressures for organic molecular crystals - are we there yet?

    Towards reliable sublimation pressures for organic molecular crystals - are we there yet? by ervinka, Ctirad, Beran, Gregory J. O

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  4. 4
    Ab initio thermodynamic properties and their uncertainties for crystalline α-methanolElectronic supplementary information (ESI) available: Optimized unit cell structures and overlays with the experimental structure. Methanol dimer benchmarks. Comparison of calculated and experimental vibrational frequencies along with the quasi-harmonic estimates of the frequencies at 20 K. Calculated molar volumes and isobaric heat capacities of α-methanol in the high-pressure region. Analysis of the quality of

    Ab initio thermodynamic properties and their uncertainties for crystalline α-methanolElectronic supplementary information (ESI) available: Optimized unit cell structures and overla... by ervinka, Ctirad, Beran, Gregory J. O

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  5. 5
    Ab initio prediction of the polymorph phase diagram for crystalline methanolElectronic Supplementary Information (ESI) available: Discussion of the experimental uncertainties, additional modeling details, structure overlays, sensitivity analysis, and investigation of the δ phase structure. See DOI: 10.1039/c8sc01237g

    Ab initio prediction of the polymorph phase diagram for crystalline methanolElectronic Supplementary Information (ESI) available: Discussion of the experimental uncertainties, addi... by ervinka, Ctirad, Beran, Gregory J. O

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  6. 6
    Decay of hydrogen bonding in mixtures of aliphatic heptanols and bistriflimide ionic liquids

    Decay of hydrogen bonding in mixtures of aliphatic heptanols and bistriflimide ionic liquids by Pokorný, Václav, Štejfa, Vojt ch, R i ka, Kv toslav, ervinka, Ctirad

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  7. 7
    Anisotropy, segmental dynamics and polymorphism of crystalline biogenic carboxylic acids

    Anisotropy, segmental dynamics and polymorphism of crystalline biogenic carboxylic acids by Pokorný, Václav, Touš, Petr, Štejfa, Vojt ch, R i ka, Kv toslav, Rohlí ek, Jan, Czernek, Ji í, Brus, Ji í, ervinka, Ctirad

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