Computational Investigations of Position-Specific Vapor Pressure Isotope Effects in Ethanol—Toward More Powerful Isotope Models for Food Forensics

por Klajman, Kamila, Dybala-Defratyka, Agnieszka, Paneth, Piotr
Publicado 2020

A new scheme to calculate isotope effects

por Świderek, Katarzyna, Dybala-Defratyka, Agnieszka, Rohr, Daniel R.
Publicado 2010

Can Alkaline Hydrolysis of γ-HCH Serve as a Model Reaction to Study Its Aerobic Enzymatic Dehydrochlorination by LinA?

por Kannath, Suraj, Adamczyk, Paweł, Wu, Langping, Richnow, Hans H., Dybala-Defratyka, Agnieszka
Publicado 2019

Seeking the Source of Catalytic Efficiency of Lindane Dehydrochlorinase, LinA

por Sowińska, Agata, Vasquez, Luis, Żaczek, Szymon, Manna, Rabindra Nath, Tuñón, Iñaki, Dybala-Defratyka, Agnieszka
Publicado 2020

Role of Microsolvation and Quantum Effects in the Accurate Prediction of Kinetic Isotope Effects: The Case of Hydrogen Atom Abstraction in Ethanol by Atomic Hydrogen in Aqueous Sol...

por Kannath, Suraj, Adamczyk, Paweł, Ferro-Costas, David, Fernández-Ramos, Antonio, Major, Dan Thomas, Dybala-Defratyka, Agnieszka
Publicado 2020

Isotope Effects on the Vaporization of Organic Compounds from an Aqueous Solution–Insight from Experiment and Computations

por Rostkowski, Michał, Schürner, Heide K. V., Sowińska, Agata, Vasquez, Luis, Przydacz, Martyna, Elsner, Martin, Dybala-Defratyka, Agnieszka
Publicado 2021