Search Results - "Barcza, Bónis" :: K.UTB vyhledávací portál

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Accuracy of projected atomic virtual orbital space in embedding applications

by Szirmai, Ádám B., Barcza, Bónis, Tajti, Attila, Szalay, Péter G.
Published in Molecular physics (17.08.2024)

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Comparison of approximate intermolecular potentials for ab initio fragment calculations on medium sized N‐heterocycles

by Barcza, Bónis, Szirmai, Ádám B., Szántó, Katalin J., Tajti, Attila, Szalay, Péter G.
Published in Journal of computational chemistry (15.06.2022)

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Benchmarking Aspects of Ab Initio Fragment Models for Accurate Excimer Potential Energy Surfaces

by Barcza, Bónis, Szirmai, Ádám B., Tajti, Attila, Stanton, John F., Szalay, Péter G.
Published in Journal of chemical theory and computation (27.06.2023)

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Journal Article

Accuracy of projected atomic virtual orbital space in embedding applications

Comparison of approximate intermolecular potentials for ab initio fragment calculations on medium sized N‐heterocycles

Benchmarking Aspects of Ab Initio Fragment Models for Accurate Excimer Potential Energy Surfaces

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