Publications by authors named "Jesper Norell"

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Modern quantum chemistry with [Open]Molcas.
Francesco Aquilante, Jochen Autschbach, Alberto Baiardi, Stefano Battaglia, Veniamin A Borin, Jesper Norell

J Chem Phys· June 2020

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Ultrafast dynamics of photo-excited 2-thiopyridone: Theoretical insights into triplet state population and proton transfer pathways.
Jesper Norell, Michael Odelius, Morgane Vacher

Struct Dyn· March 2020

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OpenMolcas: From Source Code to Insight.
Ignacio Fdez Galván, Morgane Vacher, Ali Alavi, Celestino Angeli, Francesco Aquilante, Jesper Norell

J Chem Theory Comput· November 2019

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Interdependent Electronic Structure, Protonation, and Solvatization of Aqueous 2-Thiopyridone.
Jesper Norell, Anton Ljungdahl, Michael Odelius

J Phys Chem B· July 2019

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T Population as the Driver of Excited-State Proton-Transfer in 2-Thiopyridone.
Sebastian Eckert, Jesper Norell, Raphael M Jay, Mattis Fondell, Rolf Mitzner

Chemistry· February 2019

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The nature of frontier orbitals under systematic ligand exchange in (pseudo-)octahedral Fe(ii) complexes.
Raphael M Jay, Sebastian Eckert, Mattis Fondell, Piter S Miedema, Jesper Norell

Phys Chem Chem Phys· November 2018

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Photoelectron shake-ups as a probe of molecular symmetry: 4d XPS analysis of I in solution.
Jesper Norell, Gilbert Grell, Oliver Kühn, Michael Odelius, Sergey I Bokarev

Phys Chem Chem Phys· August 2018

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Disentangling Transient Charge Density and Metal-Ligand Covalency in Photoexcited Ferricyanide with Femtosecond Resonant Inelastic Soft X-ray Scattering.
Raphael M Jay, Jesper Norell, Sebastian Eckert, Markus Hantschmann, Martin Beye

J Phys Chem Lett· June 2018

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Fingerprints of electronic, spin and structural dynamics from resonant inelastic soft X-ray scattering in transient photo-chemical species.
Jesper Norell, Raphael M Jay, Markus Hantschmann, Sebastian Eckert, Meiyuan Guo

Phys Chem Chem Phys· March 2018

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Ultrafast Independent N-H and N-C Bond Deformation Investigated with Resonant Inelastic X-Ray Scattering.
Sebastian Eckert, Jesper Norell, Piter S Miedema, Martin Beye, Mattis Fondell

Angew Chem Int Ed Engl· May 2017

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Emergent friction in two-dimensional Frenkel-Kontorova models.
Jesper Norell, Annalisa Fasolino, Astrid S de Wijn

Phys Rev E· August 2016

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