Search Results - "Parafiniuk, Monika"

Origin of Binding of Ammonia–Borane to Transition-Metal-Based Catalysts: An Insight from the Charge and Energy Decomposition Method ETS-NOCV by Parafiniuk, Monika, Mitoraj, Mariusz Paweł

“…In the present study the bonding of ammonia–borane (AB) to selected transition-metal-based catalysts was studied on the basis of the charge and energy…”
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Applications of the ETS-NOCV method in descriptions of chemical reactions by Mitoraj, Mariusz Paweł, Parafiniuk, Monika, Srebro, Monika, Handzlik, Michał, Buczek, Agnieszka, Michalak, Artur

“…The present study characterizes changes in the electronic structure of reactants during chemical reactions based on the combined charge and energy…”
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On the origin of internal rotation in ammonia borane by Parafiniuk, Monika, Mitoraj, Mariusz P.

“…The internal rotation in ammonia borane (AB) was studied on the basis of natural orbitals for chemical valence (NOCV) and eigenvectors for Pauli repulsion…”
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