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List of works by Ctirad Červinka

Ab initio prediction of the polymorph phase diagram for crystalline methanol† †Electronic Supplementary Information (ESI) available: Discussion of the experimental uncertainties, additional modeling details, structure overlays, sensitivity analysis,

scientific article

Ab initio thermodynamic properties and their uncertainties for crystalline α-methanol.

scientific article

CCSD(T)/CBS fragment-based calculations of lattice energy of molecular crystals

scientific article

Cohesive Properties of Ionic Liquids Calculated from First Principles

scientific article published on 05 September 2019

Does Explicit Polarizability Improve Simulations of Phase Behavior of Ionic Liquids?

scientific article published on 14 September 2021

Porous Ionic Liquids or Liquid Metal-Organic Frameworks?

scientific article published on 10 August 2018

Self-assembled nanostructures in ionic liquids facilitate charge storage at electrified interfaces

scientific article published on 12 August 2019

State-of-the-Art Calculations of Sublimation Enthalpies for Selected Molecular Crystals and Their Computational Uncertainty.

scientific article published on 24 April 2017

Thermodynamic Properties of Selected Homologous Series of Ionic Liquids Calculated Using Molecular Dynamics.

scientific article published on 5 February 2016

Towards reliable ab initio sublimation pressures for organic molecular crystals - are we there yet?

scientific article published on 01 July 2019

Tuning the quasi‐harmonic treatment of crystalline ionic liquids within the density functional theory

scientific article published on 27 December 2021

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