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Publications by Frank Eckert

Towards a First Principles Prediction of pKa: COSMO-RS and the Cluster-Continuum Approach

Molecular Physics
Theoretical ChemistryBiophysicsCondensed Matter PhysicsMolecular BiologyPhysical
2010English

Related publications

Prediction of Binary VLE for Imidazolium Based Ionic Liquid Systems Using COSMO-RS

English

Supersymmetric Yang-Mills Theory: A First Step Towards the Continuum

2012English

Prediction of Blood-Brain Partitioning and Human Serum Albumin Binding Based on COSMO-RS S-Moments

English

Prediction in Ecology: A First-Principles Framework

Ecological Applications
Ecology
2017English

Prediction of Semimetallic TetragonalHf2O3andZr2O3from First Principles

Physical Review Letters
AstronomyPhysics
2013English

Towards the First-Principles Investigation of Ordering Dynamics

Materials Science Forum
Mechanics of MaterialsMaterials ScienceCondensed Matter PhysicsMechanical Engineering
2005English

Monolayer II-VI Semiconductors: A First-Principles Prediction

Physical Review B
2015English

Design and Characterization of Sugar-Based Deep Eutectic Solvents Using COSMO-RS

ACS Sustainable Chemistry & Engineering
SustainabilityRenewable EnergyEnvironmental ChemistryChemical EngineeringChemistrythe Environment
2018English

Durability Prediction of Structural Composites Through a Continuum Damage Mechanics Approach

English

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