Zdzislaw Latajka 70th Birthday Festschrift

ISSN: 1610-2940 (Print) 0948-5023 (Online)

In this topical collection (25 articles)

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  1. No Access

    Original Paper

    A density functional theory investigation of degradation of Nitroguanidine in the photoactivated triplet state

    Liudmyla K. Sviatenko, Leonid Gorb, Jerzy Leszczynski… Article:372

  2. No Access

    Original Paper

    Cooperativity of hydrogen bonding network in microsolvated biotin, the ligand of avidin class proteins

    Aneta Jezierska, Jarosław Jan Panek Article:361

  3. Original Paper

    Most of the field/inductive substituent effect works through the bonds

    Halina Szatylowicz, Anna Jezuita, Krzysztof Ejsmont… Article:350
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  4. No Access

    Original Paper

    Theoretical study of formate, tartrate, tartronate, and glycolate production from 6-carbon trioxylate intermediate in the citric acid cycle

    Mehedi Khan, Supratik Kar, Jing Wang, Jerzy Leszczynski Article:347

  5. Original Paper

    Formation of active species from ruthenium alkylidene catalysts—an insight from computational perspective

    Paweł Śliwa, Mariusz P. Mitoraj, Filip Sagan… Article:331
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  6. Original Paper

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

    Teobald Kupka, Aneta Buczek, Małgorzata A. Broda… Article:313
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  7. Original Paper

    The hybrid models, containing hydrolytic and electron-driven processes, in theoretical study of oxaliplatin biotransformation

    Janina Kuduk-Jaworska, Jerzy J. Jański, Szczepan Roszak Article:286
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  8. Original Paper

    Quantum approach to the mechanism of monothiopyrophosphate isomerization

    Agata Paneth, Piotr Paneth Article:286
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  9. Original Paper

    Synthesis, spectroscopy, and theoretical calculations of some 2-thiohydantoin derivatives as possible new fungicides

    Katarzyna Kobyłka, Grzegorz Żuchowski, Waldemar Tejchman… Article:268
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  10. Original Paper

    Role of electronic kinetic energy and resultant gradient information in chemical reactivity

    Roman F. Nalewajski Article:259
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  11. Original Paper

    Influence of the second layer on geometry and spectral properties of doped two-dimensional hexagonal boron nitride

    Michał Chojecki, Ewa Lewandowska, Tatiana Korona Article:216
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  12. Original Paper

    The nature of the T=T double bond (T = B, Al, Ga, In) in dialumene and its derivatives: topological study of the electron localization function (ELF)

    Michal Michalski, Agnieszka J. Gordon, Slawomir Berski Article:211
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  13. Original Paper

    NMR studies of daidzein and puerarin: active anti-oxidants in traditional Chinese medicine

    Yang Yi, Bożena Adrjan, Jun Li, Bin Hu, Szczepan Roszak Article:202
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  14. Original Paper

    Why are rhodanines less efficient reagents in Diels–Alder reactions than isorhodanines? A quantum chemical study

    Waldemar Tejchman, Michal Michalski… Article:190
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  15. Original Paper

    On the ability of pnicogen atoms to engage in both σ and π-hole complexes. Heterodimers of ZF2C6H5 (Z = P, As, Sb, Bi) and NH3

    Wiktor Zierkiewicz, Mariusz Michalczyk, Rafał Wysokiński… Article:152
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  16. Original Paper

    The nature of multiple boron-nitrogen bonds studied using electron localization function (ELF), electron density (AIM), and natural bond orbital (NBO) methods

    Grzegorz Mierzwa, Agnieszka J. Gordon, Slawomir Berski Article:136
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  17. No Access

    Original Paper

    Toward accurate prediction of amino acid derivatives structure and energetics from DFT: glycine conformers and their interconversions

    Chong Shu, Zhongming Jiang, Malgorzata Biczysko Article:129

  18. Original Paper

    Theoretical study on preference of open polymer vs. cyclic products in CO2/epoxide copolymerization with cobalt(III)-salen bifunctional catalysts

    Aleksandra Roznowska, Karol Dyduch, Bun Yeoul Lee… Article:113
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  19. Original Paper

    Assessment of SAPT(DFT) with meta-GGA functionals

    Michał Hapka, Marcin Modrzejewski, Grzegorz Chałasiński… Article:102
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  20. No Access

    Original Paper

    The mechanism of the ozonolysis on the surface of C70 fullerene: the electron localizability indicator study

    Andrzej Bil, Krzysztof Mierzwicki Article:73
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