Search Results - "Mnich, Adrianna" :: K.UTB vyhledávací portál

Phosphorus mononitride: A difficult case for theory

by Kupka, Teobald, Leszczyńska, Małgorzata, Ejsmont, Krzysztof, Mnich, Adrianna, Broda, Małgorzata, Thangavel, Karthick, Kaminský, Jakub
Published in International journal of quantum chemistry (15.12.2019)

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Performance of revised STO(1M)‐3G basis set for prediction of 5‐fluorocytosine chemical shifts

by Kupka, Teobald, Mnich, Adrianna, Broda, Małgorzata A.
Published in Magnetic resonance in chemistry (01.08.2019)

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Performance of polarization-consistent vs. correlation-consistent basis sets for CCSD(T) prediction of water dimer interaction energy

by Kupka, Teobald, Buczek, Aneta, Broda, Małgorzata A., Mnich, Adrianna, Kar, Tapas
Published in Journal of molecular modeling (01.10.2019)

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Local aromaticity mapping in the vicinity of planar and nonplanar molecules

by Kupka, Teobald, Gajda, Łukasz, Stobiński, Leszek, Kołodziej, Łukasz, Mnich, Adrianna, Buczek, Aneta, Broda, Małgorzata A.
Published in Magnetic resonance in chemistry (01.07.2019)

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Phosphorus mononitride: A difficult case for theory

Performance of revised STO(1M)‐3G basis set for prediction of 5‐fluorocytosine chemical shifts

Performance of polarization-consistent vs. correlation-consistent basis sets for CCSD(T) prediction of water dimer interaction energy

Local aromaticity mapping in the vicinity of planar and nonplanar molecules

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