Accurate GW frontier orbital energies of 134 kilo molecules
Fediai, Artem, Reiser, Patrick, Peña, Jorge Enrique Olivares, Friederich, Pascal, Wenzel, Wolfgang
Published in Scientific data (05.09.2023)
Published in Scientific data (05.09.2023)
Get full text
Journal Article
Room-temperature spin nutations in a magnetically condensed phase of [Y(pc) 2 ]
Boudalis, Athanassios K., Olivares-Peña, Jorge-Enrique, Moreno-Pineda, Eufemio, Fediai, Artem, Wenzel, Wolfgang, Turek, Philippe, Ruben, Mario
Published in Chemical communications (Cambridge, England) (02.11.2021)
Published in Chemical communications (Cambridge, England) (02.11.2021)
Get full text
Journal Article
Computing Charging and Polarization Energies of Small Organic Molecules Embedded into Amorphous Materials with Quantum Accuracy
Armleder, Jonas, Strunk, Timo, Symalla, Franz, Friederich, Pascal, Enrique Olivares Peña, Jorge, Neumann, Tobias, Wenzel, Wolfgang, Fediai, Artem
Published in Journal of chemical theory and computation (08.06.2021)
Published in Journal of chemical theory and computation (08.06.2021)
Get full text
Journal Article
Molecular-Engineered Biradicals Based on the YIII-Phthalocyanine Platform
Suryadevara, Nithin, Boudalis, Athanassios K., Olivares Peña, Jorge Enrique, Moreno-Pineda, Eufemio, Fediai, Artem, Wenzel, Wolfgang, Turek, Philippe, Ruben, Mario
Published in Journal of the American Chemical Society (01.02.2023)
Published in Journal of the American Chemical Society (01.02.2023)
Get full text
Journal Article
Accurate GW frontier orbital energies of 134 kilo molecules
Fediai, Artem, Reiser, Patrick, Olivares Peña, Jorge Enrique, Friederich, Pascal, Wenzel, Wolfgang
Published in arXiv.org (15.03.2023)
Published in arXiv.org (15.03.2023)
Get full text
Paper
Journal Article
Molecular-Engineered Biradicals Based on the Y III -Phthalocyanine Platform
Suryadevara, Nithin, Boudalis, Athanassios K, Olivares Peña, Jorge Enrique, Moreno-Pineda, Eufemio, Fediai, Artem, Wenzel, Wolfgang, Turek, Philippe, Ruben, Mario
Published in Journal of the American Chemical Society (01.02.2023)
Published in Journal of the American Chemical Society (01.02.2023)
Get full text
Journal Article
Room-temperature spin nutations in a magnetically condensed phase of [Y(pc)]&z.rad
Boudalis, Athanassios K, Olivares-Peña, Jorge-Enrique, Moreno-Pineda, Eufemio, Fediai, Artem, Wenzel, Wolfgang, Turek, Philippe, Ruben, Mario
Published in Chemical communications (Cambridge, England) (02.11.2021)
Published in Chemical communications (Cambridge, England) (02.11.2021)
Get full text
Journal Article