Ekaterina Pas

MONASH UNIVERSITY

Australia

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Articles (12)

Year:

2025

Year:

2023

Year:

2023

Year:

2023

Year:

2023

Year:

2023

Year:

2023

Year:

2022

Year:

2022

Year:

2022

Year:

2022

Year:

2022

Collaborators (6)

Giuseppe M. J. Barca

Australian National University

AUSTRALIA

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Michelle Coote

Flinders University

AUSTRALIA

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Toby D. M. Bell

MONASH UNIVERSITY

AUSTRALIA

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Benny D. Freeman

University of Texas at Austin

UNITED STATES

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Andrea J. Robinson

MONASH UNIVERSITY

AUSTRALIA

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Ryan Stocks

Australian National University

AUSTRALIA

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Ekaterina Pas

Research Interests

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Contact this professor

Articles (12)

Preparation of Boron–Nitrogen-Containing Conjugate Polymers via Controlled Hydroboration of Imines

Accurate Prediction of Three-Body Intermolecular Interactions via Electron Deformation Density-Based Machine Learning

Influencing Molecular Dynamics Simulations of Ion-Exchange Membranes by Considering Comonomer Propagation

Appropriate clusterset selection for the prediction of thermodynamic properties of liquid water with QCE theory

Negating coordinative cysteine and methionine residues during metathesis of unprotected peptides

Structural elucidation of polydopamine facilitated by ionic liquid solvation

Toward an extreme-scale electronic structure system

Ionic Liquid Facilitated Solvent‐Phase Polymerization of Ultrasmooth Coatings of Polycatecholamines

Explainable Solvation Free Energy Prediction Combining Graph Neural Networks with Chemical Intuition

Behavior of counterpoise correction in many‐body molecular clusters of organic compounds: Hartree–Fock interaction energy perspective

Inclusion of More Physics Leads to Less Data: Learning the Interaction Energy as a Function of Electron Deformation Density with Limited Training Data

A DLPNO‐CCSD(T) benchmarking study of intermolecular interactions of ionic liquids

Collaborators (6)

Giuseppe M. J. Barca

Michelle Coote

Toby D. M. Bell

Benny D. Freeman

Andrea J. Robinson

Ryan Stocks

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