Aarhus University Seal / Aarhus Universitets segl

Søren Vrønning Hoffmann

  1. 2016
  2. Published

    Combined theoretical and experimental study of the valence, Rydberg and ionic states of fluorobenzene. / Palmer, Michael H.; Ridley, Trevor; Hoffmann, Søren Vrønning; Jones, Nykola C.; Coreno, Marcello; De Simone, Monica; Grazioli, Cesare; Zhang, Teng; Biczysko, Malgorzata; Baiardi, Alberto; Peterson, Kirk A.

    In: The Journal of Chemical Physics, Vol. 144, 204305, 2016.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  3. Published

    Electronic state spectroscopy by high-resolution vacuum ultraviolet photoabsorption, He(I) photoelectron spectroscopy and ab initio calculations of ethyl acetate. / Smialek, Malgorzata A.; Labuda, M.; Guthmuller, J.; Hubin-Franskin, Marie-Jeanne; Delwiche, Jacques; Hoffmann, Søren Vrønning; Jones, Nykola C.; Mason, Nigel J.; Limao-Vieira, Paulo.

    In: The European Physical Journal D: Atomic, Molecular, Optical and Plasma Physics, Vol. 70, 138, 2016.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  4. Published

    How Peptide Molecular Structure and Charge Influence the Nanostructure of Lipid Bicontinuous Cubic Mesophases: Model Synthetic WALP Peptides Provide Insights. / van't Hag, Leonie; Li, Xu ; Meikle, Thomas G.; Hoffmann, Søren Vrønning; Jones, Nykola C.; Pedersen, Jan Skov; Hawley, Adrian M.; Gras, Sally L.; Conn, Charlotte E.; Drummond, Calum J.

    In: Langmuir, Vol. 32, No. 27, 2016, p. 6882-6894.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  5. Published

    On the wavelength dependence of UV induced thymine photolesions: A Synchrotron Radiation Circular Dichroism study. / Madsen, Marlene Møller; Jones, Nykola C.; Nielsen, Steen Brøndsted; Hoffmann, Søren Vrønning.

    In: Physical Chemistry Chemical Physics, Vol. 18, 2016, p. 30436-30443.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  6. Published

    The design of the new IR beamline at ASTRID2. / Li, Zheshen; Rieger, Peter; Dong, Mingdong; Hoffmann, Soren Vronning; Mathis, Yves-Laurent; Moss, David.

    In: AIP Conference Proceedings, Vol. 1741, 2016.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperConference articleResearchpeer-review

  7. Published

    The influence of the localised charge of C- and N-termini on peptide self-assembly. / Bortolini, Christian; Jones, Nykola C.; Hoffmann, Søren Vrønning; Besenbacher, Flemming; Dong, MD.

    In: Soft Matter, Vol. 12, No. 2, 2016, p. 373-377.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  8. Published

    Valence and Rydberg Excitations of 2,4- and 2,6-Difluorotoluene as Studied by Vacuum Ultraviolet Synchrotron Radiation and Ab Initio Calculations. / Souza Barbosa, Alessandra; Ferreira da Silva, Filipe ; Rebelo, Andre; Hoffmann, Søren Vrønning; Bettega, Marcio H. F.; Limao-Vieira, Paulo.

    In: The Journal of Physical Chemistry Part A, Vol. 120, No. 45, 034302, 2016, p. 8998–9007.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  9. Published

    Valence and lowest Rydberg electronic states of phenol investigated by synchrotron radiation and theoretical methods. / Limao-Vieira, Paulo; Duflot, Denis; Ferreira da Silva, Filipe ; Lange, Emanuele; Jones, Nykola C.; Hoffmann, Søren Vrønning; Smialek, M. A.; Jones, Darryl B.; Brunger, M. J.

    In: The Journal of Chemical Physics, Vol. 145, No. 3, 034302, 2016.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  10. Published

    Ribose and related sugars from ultraviolet irradiation of interstellar ice analogs. / Meinert, Cornelia; Myrgorodska, Iuliia; de Marcellus, Pierre; Buhse, Thomas; Nahon, Laurent; Hoffmann, Soren V.; d'Hendecourt, Louis Le Sergeant; Meierhenrich, Uwe J.

    In: Science, Vol. 352, No. 6282, 08.04.2016, p. 208-212.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  11. Published

    Identification of a Novel Parallel beta-Strand Conformation within Molecular Monolayer of Amyloid Peptide. / Liu, Lei; Li, Qiang; Zhang, Shuai; Wang, Xiaofeng; Hoffmann, Soren Vronning; Li, Jingyuan; Liu, Zheng; Besenbacher, Flemming; Dong, Mingdong.

    In: Advanced Science, Vol. 3, No. 6, 1500369, 06.2016.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  12. Published

    Dimensionality of carbon nanomaterial impacting on the modulation of amyloid peptide assembly. / Wang, J.; Zhu, Z.; Bortolini, C.; Hoffmann, S. V.; Amari, A.; Zhang, H. X.; Liu, L.; Dong, M. D.

    In: Nanotechnology, Vol. 27, No. 30, 304001, 29.07.2016.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  13. 2017
  14. Published

    A combined theoretical and experimental study of the ionic states of iodopentafluorobenzene. / Palmer, Michael H.; Coreno, Marcello; De Simone, Monica; Hoffmann, Søren Vrønning; Jones, Nykola C.; Grazioli, Cesare; Peterson, Kirk; Baiardi, Alberto; Zhang, Teng; Biczysko, Malgorzata.

    In: The Journal of Chemical Physics, Vol. 146, No. 8, 084302, 2017.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  15. Published

    Isobutyl acetate: electronic state spectroscopy by high-resolution vacuum ultraviolet photoabsorption, He(I) photoelectron spectroscopy and ab initio calculations. / Smialek, Malgorzata A.; Łabuda, Marta; Hubin-Franskin, Marie-Jeanne; Delwiche, Jacques; Hoffmann, Søren Vrønning; Jones, Nykola C.; Mason, Nigel J.; Limao-Vieira, Paulo.

    In: The European Physical Journal D: Atomic, Molecular, Optical and Plasma Physics, Vol. 71, 129, 2017.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  16. Published

    Light on Chirality: Absolute Asymmetric Formation of Chiral Molecules Relevant in Prebiotic Evolution. / Myrgorodska, Iuliia; Meinert, Cornelia; Hoffmann, Søren Vrønning; Jones, Nykola C.; Nahon, Laurent; Meierhenrich, Uwe J.

    In: ChemPlusChem, Vol. 82, No. 1, 2017, p. 74-87.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  17. Published

    Protonation of Aqueous Alanine by Photoionization of Water. / Thøgersen, Jan; Coletta, Andrea; Keiding, Søren Rud; Jensen, Frank; Jones, Nykola C.; Hoffmann, Søren Vrønning; Jensen, Svend Knak.

    In: Physical Chemistry Chemical Physics, Vol. 19, No. 2, 2017, p. 1560-1570.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  18. Published

    The ionic states of difluoromethane: a reappraisal of the low energy photoelectron spectrum including ab initio configuration interaction computations. / Palmer, Michael H.; Biczysko, Malgorzata; Baiardi, Alberto; Coreno, Marcello; De Simone, Monica; Hoffmann, Søren Vrønning; Jones, Nykola C.; Peterson, Kirk.

    In: The Journal of Chemical Physics, Vol. 147, 074305, 2017.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  19. Published

    Response to Comment on "Ribose and related sugars from ultraviolet irradiation of interstellar ice analogs". / Meinert, Cornelia; Myrgorodska, Iuliia; de Marcellus, Pierre; Buhse, Thomas; Nahon, Laurent; Hoffmann, Soren V.; Le Sergeant d'Hendecourt, Louis; Meierhenrich, Uwe J.

    In: Science, Vol. 355, No. 6321, 13.01.2017, p. 141.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperComment/debate/letter to the editorResearchpeer-review

  20. Published

    Exciton Coupling of Phenylalanine Reveals Conformational Changes of Cationic Peptides. / Bortolini, Christian; Liu, Lei; Hoffmann, Soren V.; Jones, Nykola C.; Knowles, Tuomas P J; Dong, Mingdong.

    In: Chemistry Select, Vol. 2, No. 8, 13.03.2017, p. 2476-2479.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  21. Published

    A combined theoretical and experimental study of the valence and Rydberg states of iodopentafluorobenzene. / Palmer, Michael H.; Hoffmann, Søren Vrønning; Jones, Nykola C.; Coreno, Marcello; De Simone, Monica; Grazioli, Cesare; Peterson, Kirk; Baiardi, Alberto; Zhang, Teng; Biczysko, Malgorzata.

    In: The Journal of Chemical Physics, Vol. 146, 174301, 04.2017.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  22. Published

    An experimental and theoretical investigation into the electronically excited states of para-benzoquinone. / Jones, Bryan D.; Limao-Vieira, P.; Mendes, M.M.; Jones, N. C.; Hoffmann, S. V.; da Costa, Romarly F.; Varella, Marcio T. do N.; Bettega, Marcio H. F.; Blanco, Francisco; Garcia, G.; Ingolfsson, O.; Lima, Marco A. P.; Brunger, M. J.

    In: Journal of Chemical Physics, Vol. 146, No. 18, 184303, 14.05.2017.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  23. Published

    Comprehensive investigation of the electronic excitation of W(CO)(6) by photoabsorption and theoretical analysis in the energy region from 3.9 to 10.8 eV. / Mendes, Monica; Regeta, Khrystyna; da Silva, Filipe Ferreira; Jones, Nykola C.; Hoffmann, Soren Vronning; Garcia, Gustavo; Daniel, Chantal; Limao-Vieira, Paulo.

    In: Beilstein Journal of Nanotechnology, Vol. 8, 23.10.2017, p. 2208-2218.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  24. Published

    Vacuum ultraviolet photoabsorption spectroscopy of crystalline and amorphous benzene. / Dawes, Anita; Pascual, Natalia; Hoffmann, Soren V.; Jones, Nykola C.; Mason, Nigel J.

    In: Physical Chemistry Chemical Physics, Vol. 19, No. 40, 28.10.2017, p. 27544-27555.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  25. 2018
  26. Published

    D-Amino Acids in Molecular Evolution in Space – Absolute Asymmetric Photolysis and Synthesis of Amino Acids by Circularly Polarized Light. / Sugahara, Haruna; Meinert, Cornelia; Nahon, Laurent; Jones, Nykola C.; Hoffmann, Søren Vrønning; Hamase, Kenji; Takano, Yoshinori; Meierhenrich, Uwe.

    In: B B A - Proteins and Proteomics, Vol. 1866, No. 7, 2018, p. 743-758.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  27. Published

    Organic aerosols in anoxic and oxic atmospheres of Earth-like Exoplanets: VUV-MIR spectroscopy of CHON tholins. / Gavilan, Lisseth; Carrasco, Nathalie; Hoffmann, Søren Vrønning; Jones, Nykola C.; Mason, Nigel J.

    In: The Astrophysical Journal, Vol. 861, No. 2, 110, 2018.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  28. Published

    Probing the Lowest-Lying Electronic States of Acrylic Acid by Experimental and Theoretical Methods. / Mendes, Mónica; Souza Barbosa, Alessandra; Ferreira da Silva, Filipe ; Jones, Nykola C.; Hoffmann, Søren Vrønning; Garcia, Gustavo; Bettega, Marcio H. F.; Limao-Vieira, Paulo.

    In: The Journal of Physical Chemistry Part A, Vol. 122, 2018, p. 8191-8197.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  29. Published

    Probing the interaction between solid benzene and water using vacuum ultraviolet and infrared spectroscopy. / Dawes, Anita; Pascual, Natalia; Mason, Nigel J.; Gärtner, Sabrina; Hoffmann, Søren Vrønning; Jones, Nykola C.

    In: Physical Chemistry Chemical Physics, Vol. 20, 2018, p. 15273-15287.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  30. Published

    Rapid Growth of Acetylated Aβ(16–20) into Macroscopic Crystals. / Bortolini, Christian; Klausen, Lasse Hyldgaard; Hoffmann, Søren Vrønning; Jones, Nykola C.; Saadeh, Daniela; Wang, Zegao; Knowles, Tuomas P J; Dong, MD.

    In: ACS Nano, Vol. 12, No. 6, 2018, p. 5408-5416.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  31. Published

    The valence and Rydberg states of difluoromethane: A combined experimental vacuum ultraviolet spectrum absorption and theoretical study by ab initio configuration interaction and density functional computations. / Palmer, Michael H.; Hoffmann, Søren Vrønning; Jones, Nykola C.; Coreno, Marcello; De Simone, Monica; Grazioli, Cesare.

    In: The Journal of Chemical Physics, Vol. 148, No. 21, 214304, 2018.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  32. Published

    VUV Absorption Spectra of Gas-Phase Quinoline in the 3.5 – 10.7 eV Photon Energy Range. / Leach, Sydney; Jones, Nykola C.; Hoffmann, Søren Vrønning; Un, Sun.

    In: Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, Vol. 122, No. 27, 2018, p. 5832-5847.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  33. Published

    Vacuum UV Polarization Spectroscopy of p-Terphenyl. / Nguyen, Duy Duc; Jones, Nykola C.; Hoffmann, Søren Vrønning; Spanget-Larsen, Jens.

    In: Journal of Physical Chemistry A, Vol. 122, No. 1, 2018, p. 184-191.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  34. Published

    The photoelectron spectra of the isomeric 1-and 2-methyltetrazoles; their equilibrium structures and vibrational analysis by ab initio calculations. / Palmer, Michael H.; Coreno, Marcello; de Simone, Monica; Grazioli, Cesare; Hoffmann, Soren Vronning; Jones, Nykola C.; Peterson, Kirk A.; Aitken, R. Alan; Rouxel, Cecile.

    In: Journal of Chemical Physics, Vol. 149, No. 3, 034305, 21.07.2018.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  35. 2019
  36. Published

    Electronic Structure and VUV Photoabsorption Measurements of Thiophene. / Jones, Darryl B.; Mendes, Mónica; Limao-Vieira, Paulo; da Silva, Filipe Ferreira; Jones, Nykola C.; Hoffmann, Søren Vrønning; Brunger, M. J.

    In: The Journal of Chemical Physics, Vol. 150, No. 6, 064303, 2019.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  37. Published

    Electronic states of dibenzo-p dioxin. A synchrotron radiation linear dichroism investigation. / Nguyen, Duy Duc; Jones, Nykola C.; Hoffmann, Søren Vrønning; Spanget-Larsen, Jens.

    In: Chemical Physics, Vol. 519, 2019, p. 64-68.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  38. Published

    Ionic strength and calcium regulate membrane interactions of myelin basic protein and the cytoplasmic domain of myelin protein zero. / Raasakka, Arne; Jones, Nykola C.; Hoffmann, Søren Vrønning; Kursula, Petri.

    In: Biochemical and Biophysical Research Communications, Vol. 511, No. 1, 2019, p. 7-12.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  39. Published

    Isoquinoline Gas-Phase Absorption Spectrum in the Vacuum Ultraviolet between 3.7 and 10.7 eV. New Valence and Rydberg Electronic States. / Leach, Sydney; Jones, Nykola C.; Hoffmann, Søren Vrønning; Un, Sun.

    In: RSC Advances, Vol. 9, 2019, p. 5121-5141.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  40. Published

    Neuropathy-related mutations alter the membrane binding properties of the human myelin protein P0 cytoplasmic tail. / Raasakka, Arne; Ruskamo, Salla; Barker, Robert; Krokengen, Oda C.; Vatne, Guro H.; Kristensen, Cecilie K.; Hallin, Erik I.; Skoda, Maximillian W. A.; Bergmann, Ulrich; Wacklin-Knecht, Hanna; Jones, Nykola C.; Hoffmann, Søren Vrønning; Kursula, Petri.

    In: PLOS ONE, Vol. 14, No. 6, e0216833, 2019.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  41. Published

    The bacterial amyloid-like Hfq promotes in vitro DNA alignment. / Wien, Frank; Martinez, Denis; Le Brun, Etienne; Jones, Nykola C.; Hoffmann, Søren Vrønning; Waeytens, Jehan; Berbon, Melanie; Habenstein, Birgit; Arluison, Veronique.

    In: Microorganisms, Vol. 7, No. 12, 639, 2019.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  42. Published

    The ionic states of cyclooctatetraene. Analysis of a new experimental photoelectron spectrum by ab initio and density functional methods. / Palmer, Michael H.; Coreno, Marcello; De Simone, Monica; Grazioli, Cesare; Hoffmann, Søren Vrønning; Jones, Nykola C.

    In: The Journal of Chemical Physics, Vol. 150, No. 19, 194305, 2019.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  43. Published

    UV synchrotron radiation linear dichroism spectroscopy of the anti-psoriatic drug anthralin. / Nguyen, Duy Duc; Jones, Nykola C.; Hoffmann, Søren Vrønning; Spanget-Larsen, Jens.

    In: PeerJ, Vol. 1, e5, 2019.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  44. Published

    VUV spectroscopy of an electron irradiated benzene:carbon dioxide interstellar ice analogue. / James, Rachel L.; Jones, Nykola C.; Hoffmann, Søren Vrønning; Dawes, Anita.

    In: RSC Advances, Vol. 9, 2019, p. 5453-5459.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  45. Published

    The lowest-lying electronic states of isoflurane and sevoflurane in the 5.0-10.8 eV energy range investigated by experimental and theoretical methods. / Lange, Emanuele; Ferreira da Silva, Filipe ; Jones, Nykola C.; Hoffmann, Søren Vrønning; Duflot, Denis; Limao-Vieira, Paulo.

    In: Chemical Physics Letters, Vol. 716, 02.2019, p. 42-48.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  46. Published

    The Astrophysical Formation of Asymmetric Molecules and the Emergence of a Chiral Bias. / Garcia, Adrien D.; Meinert, Cornelia; Sugahara, Haruna; Jones, Nykola C.; Hoffmann, Søren Vrønning; Meierhenrich, Uwe J.

    In: Life, Vol. 9, No. 1, 29, 16.03.2019.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperReviewResearchpeer-review

  47. Published

    Electron-induced reactions in 3-bromo-pyruvic acid. / da Silva, Filipe Ferreira; Varella, Marcio T. do N.; Jones, Nykola C.; Hoffmann, Søren Vrønning; Denifl, Stephan; Bald, Ilko; Kopyra, Janina.

    In: Chemistry - A European Journal, Vol. 25, No. 21, 04.2019, p. 5498-5506.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  48. Published

    Insight into the structure and activity of surface-engineered lipase biofluids. / Zhou, Ye; Jones, Nykola C.; Pedersen, Jannik Nedergaard; Perez, Bianca; Hoffmann, Søren Vrønning; Petersen, Steen Vang; Pedersen, Jan Skov; Perriman, Adam; Kristensen, Peter; Gao, Renjun; Guo, Zheng.

    In: ChemBioChem, Vol. 20, No. 10, 05.2019, p. 1266-1272.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  49. Published

    The electronically excited states of cyclooctatetraene - An analysis of the vacuum ultraviolet absorption spectrum by ab initio configuration interaction methods. / Palmer, Michael H.; Hoffmann, Søren Vrønning; Jones, Nykola C.; Coreno, Marcello; De Simone, Monica; Grazioli, Cesare.

    In: The Journal of Chemical Physics, Vol. 151, 084304, 08.2019.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  50. Published

    Coupled Binding and Helix Formation Monitored by Synchrotron-Radiation Circular Dichroism. / Karlsson, Elin; Andersson, Eva; Jones, Nykola C.; Hoffmann, Søren Vrønning; Jemth, Per; Kjærgaard, Magnus.

    In: Biophysical Journal, Vol. 117, No. 4, 20.08.2019, p. 729-742.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  51. Published

    SESCA: Predicting Circular Dichroism Spectra from Protein Molecular Structures. / Nagy, Gabor; Igaev, Maxim; Jones, Nykola C.; Hoffmann, Søren Vrønning; Grubmüller, Helmut.

    In: Journal of Chemical Theory and Computation, Vol. 15, No. 9, 09.2019, p. 5087-5102.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  52. Published

    Revisiting the photoabsorption spectrum of NH3 in the 5.4 – 10.8 eV energy region. / Limao-Vieira, Paulo; Jones, Nykola C.; Hoffmann, Søren Vrønning; Duflot, Denis; Mendes, Mónica; Lozano, A. I.; da Silva, Filipe Ferreira; Garcia, Gustavo; Hoshino, Masamitsu ; Tanaka, Hiroshi.

    In: The Journal of Chemical Physics, Vol. 151, No. 18, 184302, 12.2019.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  53. 2020
  54. Published

    On the delocalization length in RNA single strands of cytosine: how many bases see the light? / Jones, Nykola C.; Nielsen, Steen Brøndsted; Hoffmann, Søren Vrønning.

    In: Physical Chemistry Chemical Physics, Vol. 22, No. 4, 2020, p. 2188-2192.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  55. Published

    On the electronic structure of methyl butyrate and methyl valerate. / Smialek, Malgorzata A.; Duflot, Denis; Jones, Nykola C.; Hoffmann, Søren Vrønning; Zuin, Lucia; Macdonald, Michael; Mason, Nigel J.; Limao-Vieira, Paulo.

    In: European Physical Journal D, Vol. 74, 153, 2020.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review