Masarykova univerzita

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Filtrování publikací

    2022

  1. DFT Analysis of Diels-Alder Reactions for the Preparation of Forskolin Derivatives
    KALLA, Erik, Hugo SEMRÁD, Miriama MATEÁŠOVÁ a Markéta MUNZAROVÁ. DFT Analysis of Diels-Alder Reactions for the Preparation of Forskolin Derivatives. In 18th Central European Symposium on Theoretical Chemistry, Balatonszárszó, Hungary. 2022.
    Podrobněji: https://is.muni.cz/publication/2216117/cs

    2. 2021

  2. Free Radical Isomerizations in Acetylene Bromoboration Reaction
    SEMRÁD, Hugo, Ctibor MAZAL a Markéta MUNZAROVÁ. Free Radical Isomerizations in Acetylene Bromoboration Reaction. Molecules. MDPI, 2021, roč. 26, č. 9, s. "2501", 15 s. ISSN 1420-3049. doi:10.3390/molecules26092501.
    Podrobněji: https://is.muni.cz/publication/1763256/cs

    3. 2020

  3. Stereoselective Bromoboration of Acetylene with Boron Tribromide. A Simple preparation of (Z)-Bromovinylboronates
    POLÁŠEK, Jan, Hugo SEMRÁD, Jakub STOŠEK, Jan PACIOREK, Markéta MUNZAROVÁ a Ctibor MAZAL. Stereoselective Bromoboration of Acetylene with Boron Tribromide. A Simple preparation of (Z)-Bromovinylboronates. In XIIIth Workshop on Modern Methods in Quantum Chemistry. 2020. ISBN 978-80-973578-0-1.
    Podrobněji: https://is.muni.cz/publication/1658497/cs
  4. Stereoselective Bromoboration of Acetylene with Boron Tribromide: Preparation and Cross-Coupling Reactions of (Z)-Bromovinylboronates
    POLÁŠEK, Jan, Jan PACIOREK, Jakub STOŠEK, Hugo SEMRÁD, Markéta MUNZAROVÁ a Ctibor MAZAL. Stereoselective Bromoboration of Acetylene with Boron Tribromide: Preparation and Cross-Coupling Reactions of (Z)-Bromovinylboronates. The Journal of Organic Chemistry. Washington, D.C.: American Chemical Society, 2020, roč. 85, č. 11, s. 6992-7000. ISSN 0022-3263. doi:10.1021/acs.joc.0c00341.
    Podrobněji: https://is.muni.cz/publication/1658581/cs

    5. 2019

  5. Reaction Energetics & Diels-Alder Reaction Profiles for Enediones and Decalines by Means of DFT
    SEMRÁD, Hugo a Markéta MUNZAROVÁ. Reaction Energetics & Diels-Alder Reaction Profiles for Enediones and Decalines by Means of DFT. In 17th Central European Symposium on Theoretical Chemistry. 2019.
    Podrobněji: https://is.muni.cz/publication/1615340/cs

    6. 2018

  6. A DFT Study of Radical Z/E Isomerization of BBr2C2H2Br
    SEMRÁD, Hugo a Markéta MUNZAROVÁ. A DFT Study of Radical Z/E Isomerization of BBr2C2H2Br. In 16th Central European Symposium on Theoretical Chemistry. 2018.
    Podrobněji: https://is.muni.cz/publication/1438876/cs
  7. Experimental and quantum chemical studies of alkyne bromoboration
    STOŠEK, Jakub, Hugo SEMRÁD, Polášek JAN, Ctibor MAZAL a Markéta MUNZAROVÁ. Experimental and quantum chemical studies of alkyne bromoboration. In 9th Barrande-Vltava French-Czech Chemistry Meeting. 2018.
    Podrobněji: https://is.muni.cz/publication/1435797/cs
  8. Quantum Chemical Studies of Acetylene Bromoboration
    STOŠEK, Jakub, Markéta MUNZAROVÁ a Ctibor MAZAL. Quantum Chemical Studies of Acetylene Bromoboration. In 16th Central European Symposium on Theoretical Chemistry. 2018.
    Podrobněji: https://is.muni.cz/publication/1435816/cs

    9. 2017

  9. Conjugated Aromatic systems in Synthesis and their Properties
    BRHELOVÁ, Michaela, Milan POTÁČEK, Hugo SEMRÁD, Markéta MUNZAROVÁ, Iveta TŘÍSKOVÁ a Libuše TRNKOVÁ. Conjugated Aromatic systems in Synthesis and their Properties. In Jiří Ludvík, Ludmila Šimková. 50th Heyrovsky Discussions. 1. vyd. Praha: J. Heyrovského ústav fyzikální chemie, 2017. s. 79-79. ISBN 978-80-87351-43-7.
    Podrobněji: https://is.muni.cz/publication/1383717/cs
  10. Orbital interactions between C2H2, BBr3, and HBr influencing stereospecificity of acetylene bromoboration
    SEMRÁD, Hugo, Jakub STOŠEK, Pavel KUBÁČEK a Markéta MUNZAROVÁ. Orbital interactions between C2H2, BBr3, and HBr influencing stereospecificity of acetylene bromoboration. In ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. WASHINGTON: AMER CHEMICAL SOC, 2017. s. "Amer Chem Soc"-"1", 2 s. ISSN 0065-7727.
    Podrobněji: https://is.muni.cz/publication/1463036/cs

    11. 2016

  11. Ab initio studies of the acetylene bromoboration mechanism
    SEMRÁD, Hugo, Jakub STOŠEK a Markéta MUNZAROVÁ. Ab initio studies of the acetylene bromoboration mechanism. In 52nd Symposium on Theoretical Chemistry - Chemistry in Solution, Ruhr Universitaet Bochum, 2016. 2016.
    Podrobněji: https://is.muni.cz/publication/1349247/cs
  12. The influence of Mg2+ coordination on 13C and 15N chemical shifts in CKI1RD protein domain from experiment and molecular dynamics/density functional theory calculations
    VÍCHA, Jan, Martin BABINSKÝ, Gabriel DEMO, Olga OTRUSINOVÁ, Séverine JANSEN, Blanka PEKÁROVÁ, Lukáš ŽÍDEK a Markéta MUNZAROVÁ. The influence of Mg2+ coordination on 13C and 15N chemical shifts in CKI1RD protein domain from experiment and molecular dynamics/density functional theory calculations. Proteins: Structure, Function, and Bioinformatics. 2016, roč. 84, č. 5, s. 686-699. ISSN 0887-3585. doi:10.1002/prot.25019.
    Podrobněji: https://is.muni.cz/publication/1341586/cs

    13. 2015

  13. SYNTHESIS OF CONJUGATED AROMATIC SYSTEMS AND THEIR PROPERTIES
    BRHELOVÁ, Michaela, Hugo SEMRÁD, Markéta MUNZAROVÁ, Iveta PILAŘOVÁ, Libuše TRNKOVÁ a Milan POTÁČEK. SYNTHESIS OF CONJUGATED AROMATIC SYSTEMS AND THEIR PROPERTIES. In Libuše Trnková. XV. Workshop of Physical Chemists and Electrochemists. 1. vyd. Brno: Masarykova Univerzita, 2015. s. 137-141. ISBN 978-80-210-7857-4.
    Podrobněji: https://is.muni.cz/publication/1301653/cs
  14. Synthesis of conjugated systems with nitrone skeleton
    POTÁČEK, Milan, Michaela BRHELOVÁ, Markéta MUNZAROVÁ, Hugo SEMRÁD, Libuše TRNKOVÁ a Iveta PILAŘOVÁ. Synthesis of conjugated systems with nitrone skeleton. In 16th Blue Danube Symposium on Heterocyclic Chemistry, Programme & Book of Abstracts. 2015. ISBN 978-963-9970-55-7.
    Podrobněji: https://is.muni.cz/publication/1305042/cs
  15. Understanding the electronic factors responsible for ligand spin-orbit NMR shielding in transition-metal complexes
    VÍCHA, Jan, Cina FOROUTANNEJAD, Tomasz PAWLAK, Markéta MUNZAROVÁ, Michal STRAKA a Radek MAREK. Understanding the electronic factors responsible for ligand spin-orbit NMR shielding in transition-metal complexes. Journal of Chemical Theory and Computation. Washington D.C.: American Chemical Society, 2015, roč. 11, č. 4, s. 1509-1517. ISSN 1549-9618. doi:10.1021/ct501089z.
    Podrobněji: https://is.muni.cz/publication/1229123/cs

    16. 2014

  16. Mechanism of Spin-Orbit Effects on the Ligand NMR Chemical Shift in Transition-Metal Complexes: Linking NMR to EPR
    VÍCHA, Jan, Michal STRAKA, Markéta MUNZAROVÁ a Radek MAREK. Mechanism of Spin-Orbit Effects on the Ligand NMR Chemical Shift in Transition-Metal Complexes: Linking NMR to EPR. Journal of Chemical Theory and Computation. Washington: American Chemical Society, 2014, roč. 10, č. 4, s. 1489-1499. ISSN 1549-9618. doi:10.1021/ct400726y.
    Podrobněji: https://is.muni.cz/publication/1165086/cs

    17. 2013

  17. Toward Reproducing Sequence Trends in Phosphorus Chemical Shifts for Nucleic Acids by MD/DFT Calculations
    PŘECECHTĚLOVÁ, Jana, Markéta MUNZAROVÁ, Juha VAARA, Jan NOVOTNÝ, Martin DRAČÍNSKÝ a Vladimír SKLENÁŘ. Toward Reproducing Sequence Trends in Phosphorus Chemical Shifts for Nucleic Acids by MD/DFT Calculations. Journal of Chemical Theory and Computation. WASHINGTON: AMER CHEMICAL SOC, 2013, roč. 9, č. 3, s. 1641-1656. ISSN 1549-9618. doi:10.1021/ct300488y.
    Podrobněji: https://is.muni.cz/publication/1092277/cs

    18. 2011

  18. Validation of relativistic DFT approaches to the calculation of NMR chemical shifts in square-planar Pt2+ and Au3+ complexes
    PAWLAK, Tomasz, Markéta MUNZAROVÁ, Leszek PAZDERSKI a Radek MAREK. Validation of relativistic DFT approaches to the calculation of NMR chemical shifts in square-planar Pt2+ and Au3+ complexes. Journal of Chemical Theory and Computation. ACS, 2011, roč. 7, č. 12, s. 3909-3923. ISSN 1549-9618. doi:10.1021/ct200366n.
    Podrobněji: https://is.muni.cz/publication/957119/cs

    19. 2010

  19. Phosphorus Chemical Shifts in a Nucleic Acid Backbone from Combined Molecular Dynamics and Density Functional Calculations
    PŘECECHTĚLOVÁ, Jana, Petr NOVÁK, Markéta MUNZAROVÁ, Martin KAUPP a Vladimír SKLENÁŘ. Phosphorus Chemical Shifts in a Nucleic Acid Backbone from Combined Molecular Dynamics and Density Functional Calculations. The Journal of the American Chemical Society. Washington, D.C.: American Chemical Society, 2010, roč. 132, č. 48, s. 17139–17148. ISSN 0002-7863.
    Podrobněji: https://is.muni.cz/publication/910251/cs

    20. 2008

  20. 31P Chemical Shift Tensors for Canonical and Non-Canonical Nucleic Acid Conformations: DFT Calculations and NMR Implications.
    PŘECECHTĚLOVÁ, Jana, Petr PADRTA, Markéta MUNZAROVÁ a Vladimír SKLENÁŘ. 31P Chemical Shift Tensors for Canonical and Non-Canonical Nucleic Acid Conformations: DFT Calculations and NMR Implications. Journal of Physical Chemistry B. American Chemical Society, 2008, roč. 112, č. 11, s. 3470-3478. ISSN 1520-6106.
    Podrobněji: https://is.muni.cz/publication/769116/cs

    21. 2007

  21. Conformational Dependence of 31P Chemical Shift Tensors in Nucleic Acids
    PRECECHTELOVA, Jana, Markéta MUNZAROVÁ a Vladimír SKLENÁŘ. Conformational Dependence of 31P Chemical Shift Tensors in Nucleic Acids. In Viral RNA: Structure, Function and Targeting. Heidelberg: EMBL Heidelberg, 2007. s. 8-8.
    Podrobněji: https://is.muni.cz/publication/715430/cs
  22. P-31 Chemical Shift Tensors in RNA and DNA Backbone. A DFT Study of Conformational Dependence and Its Implications for NMR Studies.
    PŘECECHTĚLOVÁ, Jana, Petr PADRTA, Markéta MUNZAROVÁ a Vladimír SKLENÁŘ. P-31 Chemical Shift Tensors in RNA and DNA Backbone. A DFT Study of Conformational Dependence and Its Implications for NMR Studies. In 43rd Symposium on Theoretical Chemistry: Large, Non-Biological Systems. 2007.
    Podrobněji: https://is.muni.cz/publication/725506/cs
  23. Relationships between 31P Chemical Shift Tensors and Conformation of Nucleic Acid Backbobe: A DFT Study
    PRECECHTELOVA, Jana, Markéta MUNZAROVÁ, Petr NOVÁK a Vladimír SKLENÁŘ. Relationships between 31P Chemical Shift Tensors and Conformation of Nucleic Acid Backbobe: A DFT Study. Journal of Physical Chemistry B. American Chemical Society, 2007, roč. 111, č. 12, s. 2658-2667. ISSN 1520-6106.
    Podrobněji: https://is.muni.cz/publication/715438/cs

    24. 2006

  24. Conformational Dependence of 31P Chemical Shift Tensors
    PŘECECHTĚLOVÁ, Jana, Markéta MUNZAROVÁ a Vladimír SKLENÁŘ. Conformational Dependence of 31P Chemical Shift Tensors. In 42nd Symposium on Theoretical Chemistry CONFERENCE BOOK. Nemecko: Humboldt Universtaet Berlin, 2006. s. 137.
    Podrobněji: https://is.muni.cz/publication/702361/cs
  25. MD/DFT STUDY OF ENVIRONMENTAL EFFECTS ON 31P CHEMICAL SHIFT TENSORS IN B-DNA
    PRECECHTELOVA, Jana, Petr NOVÁK, Martin KAUPP, Markéta MUNZAROVÁ a Vladimír SKLENÁŘ. MD/DFT STUDY OF ENVIRONMENTAL EFFECTS ON 31P CHEMICAL SHIFT TENSORS IN B-DNA. Materials Structure in Chemistry, Biology, Physics and Technology. Praha, 2006, roč. 13, č. 1, s. 34-34. ISSN 1211-5894.
    Podrobněji: https://is.muni.cz/publication/702348/cs
  26. Measurement of Long Range 1H-19F Scalar Coupling Constants and their Glycosidic Torsion Dependence in 5-Fluoropyrimidine Substituted RNA.
    HENNIG, Mirko, Marketa MUNZAROVA, Wolfgang BERMEL, Lincol G. SCOTT, Vladimir SKLENAR a James R. WILLIAMSON. Measurement of Long Range 1H-19F Scalar Coupling Constants and their Glycosidic Torsion Dependence in 5-Fluoropyrimidine Substituted RNA. Journal of the American Chemical Society. Washington, D.C.: American Chemical Society, 2006, roč. 128, č. 17, s. 5851-5858. ISSN 0002-7863.
    Podrobněji: https://is.muni.cz/publication/634894/cs
  27. NMR experiments for detection of quaternary carbons in nucleic acid bases.
    FIALA, Radovan, Vladimír SKLENÁŘ a Markéta MUNZAROVÁ. NMR experiments for detection of quaternary carbons in nucleic acid bases. In 8th Central European NMR Symposium. 1. vyd. Debrecen: University of Debrecen, 2006. s. 1.
    Podrobněji: https://is.muni.cz/publication/700782/cs
  28. NMR of Nucleic Acids - Little by Little
    SKLENÁŘ, Vladimír, Jana PŘECECHTĚLOVÁ, Markéta MUNZAROVÁ a Radovan FIALA. NMR of Nucleic Acids - Little by Little. In XXII International Conference on Magnetic Resonance in Biological Systems. Göttingen: ICMRBS, 2006. s. 26-26.
    Podrobněji: https://is.muni.cz/publication/708411/cs

    29. 2005

  29. Comparative density-functional study of the electron paramagnetic resonance parameters of amavadin
    REMENYI, C., Markéta MUNZAROVÁ a Martin KAUPP. Comparative density-functional study of the electron paramagnetic resonance parameters of amavadin. Journal of Physical Chemistry B. USA: The American Chemical Society, 2005, roč. 109, č. 9, s. 4227-4233. ISSN 1089-5639.
    Podrobněji: https://is.muni.cz/publication/699801/cs
  30. No Proton - No problem. Non-protonated Nuclei in NMR Studies of Nucleic Acids
    SKLENÁŘ, Vladimír, Radovan FIALA a Markéta MUNZAROVÁ. No Proton - No problem. Non-protonated Nuclei in NMR Studies of Nucleic Acids. In XXI International Conference on MagneticResonance in Biological Systems-Abstracts. Hyderabad, India: Vindhya Press, 2005. s. 57-57.
    Podrobněji: https://is.muni.cz/publication/587984/cs

    31. 2004

  31. Experiments for Correlating Quaternary Carbons in RNA Bases
    FIALA, Radovan, Markéta MUNZAROVÁ a Vladimír SKLENÁŘ. Experiments for Correlating Quaternary Carbons in RNA Bases. In 17th EENC/32th AMPERE. 1. vyd. Lille, France: EENC/AMPERE, 2004. s. 224.
    Podrobněji: https://is.muni.cz/publication/571804/cs
  32. Experiments for Correlating Quaternary Carbons in RNA Bases
    FIALA, Radovan, Markéta MUNZAROVÁ a Vladimír SKLENÁŘ. Experiments for Correlating Quaternary Carbons in RNA Bases. In 19th NMR Valtice. 1. vyd. Brno: Masarykova univerzita, 2004. s. 33. ISBN 80-210-3352-5.
    Podrobněji: https://is.muni.cz/publication/562945/cs
  33. Experiments for Correlating Quaternary Carbons in RNA Bases
    FIALA, Radovan, Markéta MUNZAROVÁ a Vladimír SKLENÁŘ. Experiments for Correlating Quaternary Carbons in RNA Bases. Journal of Biomolecular NMR. Dordrecht: Kluwer/Escom, 2004, roč. 29, č. 4, s. 477-490. ISSN 0925-2738.
    Podrobněji: https://is.muni.cz/publication/562940/cs
  34. Structural Dependence of 31P Chemical Shielding Tensors: DFT Study
    PRECECHTELOVA, Jana, Marketa MUNZAROVA a Vladimir SKLENAR. Structural Dependence of 31P Chemical Shielding Tensors: DFT Study. Brno: Masarykova univerzita Brno, 2004. 1 s. ISBN 80-210-3352-5.
    Podrobněji: https://is.muni.cz/publication/567167/cs
  35. Theoretical Study of 31P chemical shielding tensors in B-DNA
    PRECECHTELOVA, Jana, Marketa MUNZAROVA a Vladimir SKLENAR. Theoretical Study of 31P chemical shielding tensors in B-DNA. Materials Structure. Praha: The Czech and Slovak Cryst. Assoc., 2004, roč. 11, č. 1, s. 36-37. ISSN 1211-5894.
    Podrobněji: https://is.muni.cz/publication/567053/cs
  36. 1H-13C Correlation Experiments for Detection of Quaternary Carbons in Nucleic Acid Bases
    FIALA, Radovan, Markéta MUNZAROVÁ a Vladimír SKLENÁŘ. 1H-13C Correlation Experiments for Detection of Quaternary Carbons in Nucleic Acid Bases. In Abstracts of the VIth Central European NMR Symposium. 1. vyd. Linz, Rakousko: Linz University, 2004. s. 8.
    Podrobněji: https://is.muni.cz/publication/571814/cs

    37. 2003

  37. A DFT Analysis of NMR Scalar Interactions Across the Glycosidic Bond in DNA
    MUNZAROVÁ, Markéta a Vladimír SKLENÁŘ. A DFT Analysis of NMR Scalar Interactions Across the Glycosidic Bond in DNA. Journal of the American Chemical Society. Washington, D.C.: American Chemical Society, 2003, roč. 125, č. 12, s. 3649-3658. ISSN 0002-7863.
    Podrobněji: https://is.muni.cz/publication/485416/cs
  38. Role of dynamical polarization of ligand-to-metal charge transfer excitations in ab initio determination of effective exchange parameters
    GELLE, Alain, Markéta MUNZAROVÁ, Marie-Bernadette LEPETIT a Francesc ILLAS. Role of dynamical polarization of ligand-to-metal charge transfer excitations in ab initio determination of effective exchange parameters. Physical Review B. USA: The American Physical Society, 2003, roč. 68, č. 12, s. 125103/1-7, 7 s. ISSN 0163-1829.
    Podrobněji: https://is.muni.cz/publication/490471/cs

    39. 2002

  39. Electron-Rich Three-Center Bonding: The Role of s,p Interactions Across the p-Block
    MUNZAROVÁ, Markéta a Roald HOFFMANN. Electron-Rich Three-Center Bonding: The Role of s,p Interactions Across the p-Block. J. Am. Chem. Soc. Washington: American Chemical Society, 2002, roč. 124, č. 17, s. 4787-4795. ISSN 0002-7863.
    Podrobněji: https://is.muni.cz/publication/405827/cs
  40. Strong electronic consequences of intercalation in cuprate superconductors: The case of a trigonal planar AuI3 complex stabilized in the Bi2Sr2CaCu2Oy lattice
    MUNZAROVÁ, Markéta a Roald HOFFMANN. Strong electronic consequences of intercalation in cuprate superconductors: The case of a trigonal planar AuI3 complex stabilized in the Bi2Sr2CaCu2Oy lattice. J. Am. Chem. Soc. Washington: American Chemical Society, 2002, roč. 124, č. 19, s. 5542-5549. ISSN 0002-7863.
    Podrobněji: https://is.muni.cz/publication/405828/cs
  41. Three-Bond Sugar-Base Couplings in Purine versus Pyrimidine Nucleosides: A DFT Study of Karplus Relationships for 3JC2/4-H1' and 3JC6/8-H1' in DNA
    MUNZAROVÁ, Markéta a Vladimír SKLENÁŘ. Three-Bond Sugar-Base Couplings in Purine versus Pyrimidine Nucleosides: A DFT Study of Karplus Relationships for 3JC2/4-H1' and 3JC6/8-H1' in DNA. Journal of the American Chemical Society. Washington, D.C.: American Chemical Society, 2002, roč. 124, č. 36, s. 10666-10667. ISSN 0002-7863.
    Podrobněji: https://is.muni.cz/publication/405486/cs

    42. 2001

  42. A density functional study of EPR parameters for vanadyl complexes containing schiff base ligands
    MUNZAROVÁ, Markéta a Martin KAUPP. A density functional study of EPR parameters for vanadyl complexes containing schiff base ligands. J. Phys. Chem. B. American Chemical Society, 2001, roč. 105, č. 50, s. 12644-12652. ISSN 1089-5647.
    Podrobněji: https://is.muni.cz/publication/391115/cs

    43. 2000

  43. Density Functional Calculations of Electronic g-Tensors Using Spin-Orbit Pseudopotentials and Mean-Field All-Electron Spin-OrbitOperators
    MALKINA, Olga L., Juha VAARA, Bernd SCHIMMELPFENNIG, Markéta MUNZAROVÁ, Vladimir G. MALKIN a Martin KAUPP. Density Functional Calculations of Electronic g-Tensors Using Spin-Orbit Pseudopotentials and Mean-Field All-Electron Spin-OrbitOperators. The Journal of the American Chemical Society. Washington, D.C.: American Chemical Society, 2000, roč. 122, č. 38, s. 9206-9218. ISSN 0002-7863.
    Podrobněji: https://is.muni.cz/publication/344292/cs
  44. Density functional calculations of NMR and EPR parameters for heavy-element compounds.
    KAUPP, Martin, Juha VAARA, Markéta MUNZAROVÁ, Olga L. MALKINA a Vladimir G. MALKIN. Density functional calculations of NMR and EPR parameters for heavy-element compounds. In Book of Abstracts, 219th ACS National Meeting. Washington, D.C.: American Chemical Society, 2000. s. COMP-014, 1 s. ISBN 0-8412-3731-X.
    Podrobněji: https://is.muni.cz/publication/344303/cs
  45. Mechanisms of EPR Hyperfine Coupling in Transition Metal Complexes
    MUNZAROVÁ, Markéta, Pavel KUBÁČEK a Martin KAUPP. Mechanisms of EPR Hyperfine Coupling in Transition Metal Complexes. The Journal of the American Chemical Society. Washington, D.C.: American Chemical Society, 2000, roč. 122, č. 48, s. 11900-11913. ISSN 0002-7863.
    Podrobněji: https://is.muni.cz/publication/344294/cs

    46. 1999

  46. A Critical Validation of Density Functional and Coupled-Cluster Approaches for the Calculation of EPR Hyperfine Coupling Constants in Transition Metal Complexes
    MUNZAROVÁ, Markéta a Martin KAUPP. A Critical Validation of Density Functional and Coupled-Cluster Approaches for the Calculation of EPR Hyperfine Coupling Constants in Transition Metal Complexes. J. Phys. Chem. American Chemical Society, 1999, roč. 103, č. 48, s. 9966-9982. ISSN 1089-5639.
    Podrobněji: https://is.muni.cz/publication/218352/cs
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Zobrazeno: 31. 3. 2023 15:46