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Browsing by Author Marek, Radek

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Showing results 1 to 20 of 23  next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg14-May-2026AuHKomorovsky, Stanislav; Asher, James R; Marek, Radek; Berger, Raphael J F; Blasco Santana, Daniel; Novotny, JanAMS; 2024.102; r122055Geometry optimization NMRPBE0 == Not Default ==--5.437265; eV
thumbnail.jpeg14-May-2026HAtKomorovsky, Stanislav; Asher, James R; Marek, Radek; Berger, Raphael J F; Blasco Santana, Daniel; Novotny, JanAMS; 2024.102; r122055Geometry optimizationPBE0 == Not Default ==--5.905292; eV
thumbnail.jpeg14-May-2026molecule1aKomorovsky, Stanislav; Asher, James R; Marek, Radek; Berger, Raphael J F; Blasco Santana, Daniel; Novotny, JanAMS; 2024.102; r122055Geometry optimization NMRPBE0 == Not Default ==--14.278503; eV
thumbnail.jpeg14-May-2026molecule1bKomorovsky, Stanislav; Asher, James R; Marek, Radek; Berger, Raphael J F; Blasco Santana, Daniel; Novotny, JanAMS; 2024.102; r122055Geometry optimizationPBE0 == Not Default ==--12.819558; eV
thumbnail.jpeg14-May-2026molecule1cKomorovsky, Stanislav; Asher, James R; Marek, Radek; Berger, Raphael J F; Blasco Santana, Daniel; Novotny, JanAMS; 2024.102; r122055Geometry optimizationPBE0 == Not Default ==--94.128342; eV
thumbnail.jpeg14-May-2026molecule1dKomorovsky, Stanislav; Asher, James R; Marek, Radek; Berger, Raphael J F; Blasco Santana, Daniel; Novotny, JanAMS; 2024.102; r122055Geometry optimizationPBE0 == Not Default ==--31.234590; eV
thumbnail.jpeg14-May-2026molecule1eKomorovsky, Stanislav; Asher, James R; Marek, Radek; Berger, Raphael J F; Blasco Santana, Daniel; Novotny, JanAMS; 2024.102; r122055Geometry optimization NMRPBE0 == Not Default ==--11.443945; eV
thumbnail.jpeg14-May-2026molecule1fKomorovsky, Stanislav; Asher, James R; Marek, Radek; Berger, Raphael J F; Blasco Santana, Daniel; Novotny, JanAMS; 2024.102; r122055Geometry optimizationPBE0 == Not Default ==--26.970189; eV
thumbnail.jpeg14-May-2026molecule1gKomorovsky, Stanislav; Asher, James R; Marek, Radek; Berger, Raphael J F; Blasco Santana, Daniel; Novotny, JanAMS; 2024.102; r122055Geometry optimizationPBE0 == Not Default ==--22.103483; eV
thumbnail.jpeg14-May-2026molecule1hKomorovsky, Stanislav; Asher, James R; Marek, Radek; Berger, Raphael J F; Blasco Santana, Daniel; Novotny, JanAMS; 2024.102; r122055Geometry optimizationPBE0 == Not Default ==--30.860319; eV
thumbnail.jpeg14-May-2026molecule1iKomorovsky, Stanislav; Asher, James R; Marek, Radek; Berger, Raphael J F; Blasco Santana, Daniel; Novotny, JanAMS; 2024.102; r122055Geometry optimization NMRPBE0 == Not Default ==--26.183894; eV
thumbnail.jpeg14-May-2026molecule1jKomorovsky, Stanislav; Asher, James R; Marek, Radek; Berger, Raphael J F; Blasco Santana, Daniel; Novotny, JanAMS; 2024.102; r122055Geometry optimizationPBE0 == Not Default ==--26.104181; eV
thumbnail.jpeg14-May-2026molecule2aKomorovsky, Stanislav; Asher, James R; Marek, Radek; Berger, Raphael J F; Blasco Santana, Daniel; Novotny, JanAMS; 2024.102; r122055Geometry optimization NMRPBE0 == Not Default ==--9.614941; eV
thumbnail.jpeg14-May-2026molecule2bKomorovsky, Stanislav; Asher, James R; Marek, Radek; Berger, Raphael J F; Blasco Santana, Daniel; Novotny, JanAMS; 2024.102; r122055Geometry optimizationPBE0 == Not Default ==--7.848417; eV
thumbnail.jpeg14-May-2026molecule2cKomorovsky, Stanislav; Asher, James R; Marek, Radek; Berger, Raphael J F; Blasco Santana, Daniel; Novotny, JanAMS; 2024.102; r122055Geometry optimization NMRPBE0 == Not Default ==--89.607830; eV
thumbnail.jpeg14-May-2026molecule2dKomorovsky, Stanislav; Asher, James R; Marek, Radek; Berger, Raphael J F; Blasco Santana, Daniel; Novotny, JanAMS; 2024.102; r122055Geometry optimizationPBE0 == Not Default ==--27.191417; eV
thumbnail.jpeg14-May-2026molecule2eKomorovsky, Stanislav; Asher, James R; Marek, Radek; Berger, Raphael J F; Blasco Santana, Daniel; Novotny, JanAMS; 2024.102; r122055Geometry optimization NMRPBE0 == Not Default ==--7.280897; eV
thumbnail.jpeg14-May-2026molecule2fKomorovsky, Stanislav; Asher, James R; Marek, Radek; Berger, Raphael J F; Blasco Santana, Daniel; Novotny, JanAMS; 2024.102; r122055Geometry optimization NMRPBE0 == Not Default ==--22.220303; eV
thumbnail.jpeg14-May-2026molecule2gKomorovsky, Stanislav; Asher, James R; Marek, Radek; Berger, Raphael J F; Blasco Santana, Daniel; Novotny, JanAMS; 2024.102; r122055Geometry optimizationPBE0 == Not Default ==--17.724889; eV
thumbnail.jpeg14-May-2026molecule2hKomorovsky, Stanislav; Asher, James R; Marek, Radek; Berger, Raphael J F; Blasco Santana, Daniel; Novotny, JanAMS; 2024.102; r122055Geometry optimizationPBE0 == Not Default ==--21.084070; eV
Showing results 1 to 20 of 23  next >