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Journal of Computational Chemistry
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December 27, 2021
Tuning the quasi-harmonic treatment of crystalline ionic liquids within the density functional theory
Ctirad Červinka
Journal of Chemical Theory and Computation
|
September 18, 2025
Introducing the Coupled-Cluster Theory to the Amorphous World of Liquids and Their Thermodynamic Simulations
Ctirad Červinka
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
April 4, 2020
Sublimation Properties of α,ω-Diamines Revisited from First-Principles Calculations
Ctirad Červinka, Vojtěch Štejfa
The Journal of Physical Chemistry. B
|
February 23, 2022
Does Explicit Polarizability Improve Molecular Dynamics Predictions of Glass Transition Temperatures of Ionic Liquids?
Martin Klajmon, Ctirad Červinka
Physical Chemistry Chemical Physics : PCCP
|
August 15, 2019
Cohesive properties of the crystalline phases of twenty proteinogenic α-aminoacids from first-principles calculations
Ctirad Červinka, Michal Fulem
Physical Chemistry Chemical Physics : PCCP
|
February 23, 2021
Computational assessment of the crystallization tendency of 1-ethyl-3-methylimidazolium ionic liquids
Ctirad Červinka, Vojtěch Štejfa
Journal of Chemical Theory and Computation
|
April 25, 2017
State-of-the-Art Calculations of Sublimation Enthalpies for Selected Molecular Crystals and Their Computational Uncertainty
Ctirad Červinka, Michal Fulem
Pharmaceutics
|
August 28, 2021
Structure and Glass Transition Temperature of Amorphous Dispersions of Model Pharmaceuticals with Nucleobases from Molecular Dynamics
Ctirad Červinka, Michal Fulem
Journal of Chemical Theory and Computation
|
September 14, 2021
Does Explicit Polarizability Improve Simulations of Phase Behavior of Ionic Liquids?
Martin Klajmon, Ctirad Červinka
Physical Chemistry Chemical Physics : PCCP
|
November 2, 2017
Ab initio thermodynamic properties and their uncertainties for crystalline α-methanol
Ctirad Červinka, Gregory J O Beran
Page
of 4
Search research articles
Search
Showing results (1-10 of 31) with videos related to
Sort By:
Page
of 4
Journal of Computational Chemistry
|
December 27, 2021
Tuning the quasi-harmonic treatment of crystalline ionic liquids within the density functional theory
Ctirad Červinka
Journal of Chemical Theory and Computation
|
September 18, 2025
Introducing the Coupled-Cluster Theory to the Amorphous World of Liquids and Their Thermodynamic Simulations
Ctirad Červinka
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
April 4, 2020
Sublimation Properties of α,ω-Diamines Revisited from First-Principles Calculations
Ctirad Červinka, Vojtěch Štejfa
The Journal of Physical Chemistry. B
|
February 23, 2022
Does Explicit Polarizability Improve Molecular Dynamics Predictions of Glass Transition Temperatures of Ionic Liquids?
Martin Klajmon, Ctirad Červinka
Physical Chemistry Chemical Physics : PCCP
|
August 15, 2019
Cohesive properties of the crystalline phases of twenty proteinogenic α-aminoacids from first-principles calculations
Ctirad Červinka, Michal Fulem
Physical Chemistry Chemical Physics : PCCP
|
February 23, 2021
Computational assessment of the crystallization tendency of 1-ethyl-3-methylimidazolium ionic liquids
Ctirad Červinka, Vojtěch Štejfa
Journal of Chemical Theory and Computation
|
April 25, 2017
State-of-the-Art Calculations of Sublimation Enthalpies for Selected Molecular Crystals and Their Computational Uncertainty
Ctirad Červinka, Michal Fulem
Pharmaceutics
|
August 28, 2021
Structure and Glass Transition Temperature of Amorphous Dispersions of Model Pharmaceuticals with Nucleobases from Molecular Dynamics
Ctirad Červinka, Michal Fulem
Journal of Chemical Theory and Computation
|
September 14, 2021
Does Explicit Polarizability Improve Simulations of Phase Behavior of Ionic Liquids?
Martin Klajmon, Ctirad Červinka
Physical Chemistry Chemical Physics : PCCP
|
November 2, 2017
Ab initio thermodynamic properties and their uncertainties for crystalline α-methanol
Ctirad Červinka, Gregory J O Beran
Page
of 4