Jens Spanget-Larsen

Search results

• 2024

  Excited states of diphenylacetylene (tolan): Near and vacuum UV polarization spectroscopy

  Nguyen, D. D., Jones, N. C., Hoffmann, S. V. & Spanget-Larsen, J., 2024, In: European Journal of Chemistry. 15, 2, p. 87-92 6 p.

  Research output: Contribution to journal › Journal article › Research › peer-review

  Open Access

  File

• Prediction of OH stretching frequencies for intramolecular OH··O linkages

  Spanget-Larsen, J., Jan 2024, SSRN, 16 p.

  Research output: Working paper › Preprint

  File
• 2023

  Excited states of trans-stilbene and 1,4-diphenylbutadiene: Near and vacuum UV polarization spectroscopy

  Nguyen, D. D., Jones, N. C., Hoffmann, S. V. & Spanget-Larsen, J., Dec 2023, In: Journal of Molecular Structure. 1293, 11 p., 136206.

  Research output: Contribution to journal › Journal article › Research › peer-review

  Open Access

  File

• Near and vacuum UV polarization spectroscopy of 1,4-distyrylbenzene

  Nguyen, D. D., Jones, N. C., Hoffmann, S. V. & Spanget-Larsen, J., 5 Feb 2023, In: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 286, 7 p., 122019.

  Research output: Contribution to journal › Journal article › Research › peer-review

  Open Access

  File
• 2022

  On the complexity of the 1,3-dithiole-2-thione chromophore: UV-Vis polarization spectroscopy and theoretical calculations

  Visby, K. & Spanget-Larsen, J., 1 Aug 2022, In: Chemical Physics. 560, 2-3, 6 p., 111574.

  Research output: Contribution to journal › Journal article › Research › peer-review

  Open Access

  File
• 2021

  Electronic transitions of tetrathiafulvalene oriented in polyethylene film: Near and vacuum UV synchrotron radiation polarization spectroscopy

  Thulstrup, P. W., Hoffmann, S. V., Jones, N. C. & Spanget-Larsen, J., Jun 2021, In: Chemical Physics Impact. 2, June 2021, 6 p., 100009.

  Research output: Contribution to journal › Journal article › Research › peer-review

  Open Access

  File

• Gallate semiquinone radical tri-anion: Experimental and theoretical studies of the ¹³C hyperfine coupling constants

  Pedersen, J. A. & Spanget-Larsen, J., 5 Oct 2021, In: Journal of Molecular Structure. 1241, 130663.

  Research output: Contribution to journal › Journal article › Research › peer-review

  Open Access

  File

• NH Stretching Frequencies of Intramolecularly Hydrogen-Bonded Systems: An Experimental and Theoretical Study

  Hansen, P. E., Vakili, M., Kamounah, F. S. & Spanget-Larsen, J., 17 Dec 2021, In: Molecules. 26, 24, 19 p., 7651.

  Research output: Contribution to journal › Journal article › Research › peer-review

  Open Access

  File

• UV polarisation spectroscopy of 1,4-diethynylbenzene

  Thulstrup, P. W., Jones, N. C., Hoffmann, S. V. & Spanget-Larsen, J., 2021, In: Molecular Physics. 119, 7, 7 p., e1853841.

  Research output: Contribution to journal › Journal article › Research › peer-review

  Open Access

  File
• 2020

  Chrysazin semiquinone radical anion: A theoretical study of the influence of the solvent on the electron spin resonance spectrum

  Spanget-Larsen, J., 1 Sept 2020, In: Computational and Theoretical Chemistry. 1185, 1185, 5 p., 112878.

  Research output: Contribution to journal › Journal article › Research › peer-review

  Open Access

  File

• Semiquinone radical anions derived from 2,3-dimethylchrysazin, 7-deoxyaklavinone, and aclacinomycin T: Computational studies of the influence of aprotic and protic solvents on the electron spin resonance spectra

  Spanget-Larsen, J., 14 Oct 2020, In: Journal of Molecular Liquids. 320, 7 p., 114508.

  Research output: Contribution to journal › Journal article › Research › peer-review

  Open Access

  File
• 2019

  Dibenzo-p-dioxin: Twisted and puckered excited state molecular geometries

  Spanget-Larsen, J., 15 Sept 2019, In: Computational and Theoretical Chemistry. 1164, 1164, 4 p., 112551.

  Research output: Contribution to journal › Journal article › Research › peer-review

  Open Access

  File

• Electronic states of dibenzo-p-dioxin: A synchrotron radiation linear dichroism Investigation.

  Nguyen, D. D., Jones, N. C., Hoffmann, S. V. & Spanget-Larsen, J., 1 Mar 2019, In: Chemical Physics. 519, p. 64-68 5 p.

  Research output: Contribution to journal › Journal article › Research › peer-review

  Open Access

  File

• Hydrogen bonding between ethynyl aromates and triethylamine: IR spectroscopic and computational study

  Bakarić, D., Alerić, J., Parlić-Risović, T. & Spanget-Larsen, J., 15 Feb 2019, In: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 209, p. 288-294 7 p.

  Research output: Contribution to journal › Journal article › Research › peer-review

  Open Access

  File

• Intramolecular Hydrogen Bonds in Normal and Sterically Compressed o-Hydroxy Aromatic Aldehydes: Isotope Effects on Chemical Shifts and Hydrogen Bond Strength

  Hansen, P. E., Kamounah, F. S., Saeed, B., MacLachlan, M. J. & Spanget-Larsen, J., 1 Dec 2019, In: Molecules. 24, 24, 15 p., 4533.

  Research output: Contribution to journal › Journal article › Research › peer-review

  Open Access

  File

• Ionic reaction products of iodine with pyridine, 4-methylpyridine, and 4-tert-butylpyridine in a polyethylene matrix: A FTIR polarization spectroscopic investigation

  Ngyuen, H. T., Nguyen, D. D. & Spanget-Larsen, J., 1 Feb 2019, In: Chemical Physics Letters. 716, p. 119-125 7 p.

  Research output: Contribution to journal › Journal article › Research › peer-review

  Open Access

  File

• Theoretical Calculations Are a Strong Tool in the Investigation of Strong Intramolecular Hydrogen Bonds

  Hansen, P. E., Jezierska, A., Panek, J. J. & Spanget-Larsen, J., 15 Jul 2019, Molecular Spectroscopy: A Quantum Chemistry Approach. Ozaki, Y., Wójcik, M. J. & Popp, J. (eds.). 1 ed. Weinheim, Germany: Wiley-VCH, Vol. 1. p. 215-251 37 p.

  Research output: Chapter in Book/Report/Conference proceeding › Book chapter › Research › peer-review

• UV synchrotron radiation linear dichroism spectroscopy of the anti-psoriatic drug anthralin

  Nguyen, D. D., Jones, N. C., Hoffmann, S. V. & Spanget-Larsen, J., 15 Nov 2019, In: PeerJ. 2019, 1, 14 p., 1:e5.

  Research output: Contribution to journal › Journal article › Research › peer-review

  Open Access

  File
• 2018

  2-Ethynylpyridine dimers: IR spectroscopic and computational study

  Bakarić, D. & Spanget-Larsen, J., 15 Apr 2018, In: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 195, p. 41-46 6 p.

  Research output: Contribution to journal › Journal article › Research › peer-review

• Vacuum UV Polarization Spectroscopy of p-Terphenyl

  Nguyen, D. D., Clare Jones, N., Hoffmann, S. V. & Spanget-Larsen, J., 11 Jan 2018, In: The Journal of Physical Chemistry Part A. 122, 1, p. 184-191 8 p.

  Research output: Contribution to journal › Journal article › Research › peer-review
• 2017

  Electronic Spectroscopy: Linear Dichroism, Applications

  Thulstrup, E. W., Waluk, J. & Spanget-Larsen, J., 2017, Encyclopedia of Spectroscopy and Spectrometry. Lindon, J. C., Tranter, G. E. & , D. W. K. (eds.). 3 ed. Oxford: Academic Press, p. 595-600

  Research output: Chapter in Book/Report/Conference proceeding › Encyclopedia chapter › Communication

• Electronic Spectroscopy: Linear Dichroism, Instrumentation

  Thulstrup, E. W., Spanget-Larsen, J. & Waluk, J., 2017, Encyclopedia of Spectroscopy and Spectrometry. Lindon, J. C., Tranter, G. E. & Koppenaal, D. W. (eds.). 3 ed. Oxford: Academic Press, p. 601-603

  Research output: Chapter in Book/Report/Conference proceeding › Encyclopedia chapter › Communication

• Electronic states of myricetin: UV-Vis polarization spectroscopy and quantum chemical calculations

  Vojta, D., Karlsen, E. & Spanget-Larsen, J., 15 Feb 2017, In: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 173, p. 182-187 6 p.

  Research output: Contribution to journal › Journal article › Research › peer-review

  Open Access

  File

• Intramolecular hydrogen bonding in myricetin and myricitrin: Quantum chemical calculations and vibrational spectroscopy

  Vojta, D., Dominkovic, K., Miljanic, S. & Spanget-Larsen, J., 5 Mar 2017, In: Journal of Molecular Structure: THEOCHEM. 1131, p. 242-249 8 p.

  Research output: Contribution to journal › Journal article › Research › peer-review

• NMR and IR investigations of strong intramolecular hydrogen bonds

  Hansen, P. E. & Spanget-Larsen, J., 29 Mar 2017, In: Molecules. 22, 4, p. 552 552.

  Research output: Contribution to journal › Review › peer-review

  Open Access

• Spektroskopi med lineært polariseret lys

  Translated title of the contribution: Spectroscopy with linearly polarized loightThulstrup, E. W. & Spanget-Larsen, J., Nov 2017, Molekylspektroskopi - et stykke dansk kemihistorie. Damhus, T., Hansen, P. E., Knudsen, C. B. & Petersen, A. (eds.). København: Dansk Selskab for Historisk Kemi, p. 155-175 11 p.

  Research output: Chapter in Book/Report/Conference proceeding › Book chapter › Research

• 2016

  A Reinvestigation of the Ionic Liquid Diisopropylethylammonium Formate by NMR and DFT Methods

  Hansen, P. E., Lund, T., Krake, J., Spanget-Larsen, J. & Hvidt, S., 12 Oct 2016, In: The Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical. 120, p. 11279-11286 8 p.

  Research output: Contribution to journal › Journal article › Research › peer-review

• Exercises in Computational Chemistry

  Spanget-Larsen, J., 6 Jan 2016

  Research output: Other contribution › Net publication - Internet publication › Education

  Open Access

  File

• Lecture Notes: Three Lectures in Computational Chemistry

  Spanget-Larsen, J., 6 Jan 2016

  Research output: Other contribution › Net publication - Internet publication › Education

  Open Access

  File

• Solutions to selected exercise problems in quantum chemistry and spectroscopy

  Spanget-Larsen, J., 10 Sept 2016

  Research output: Other contribution › Net publication - Internet publication › Education

  Open Access

  File

• Spectrophotometric determination of association constant: Computer program STEP

  Spanget-Larsen, J. (Producer), 3 Feb 2016

  Research output: Non-textual form › Computer programme › Research

  Open Access

• Structural studies on Mannich bases of 2-Hydroxy-3,4,5,6-tetrachlorobenzene. An UV, IR, NMR and DFT study. A mini-review

  Hansen, P. E. & Spanget-Larsen, J., 28 Apr 2016, In: Journal of Molecular Structure: THEOCHEM. 1119, p. 235-239 5 p.

  Research output: Contribution to journal › Journal article › Research › peer-review

  Open Access

  File
• 2015

  Fast and efficient green synthesis of thiosulfonate S-esters by microwave-supported permanganate oxidation of symmetrical disulfides

  Thi, L. T. X., Thi Nguyen, T.-T., Le, T. N., Spanget-Larsen, J. & Duus, F., 2015, In: Journal of Sulfur Chemistry. 36, 3, p. 340-350 11 p.

  Research output: Contribution to journal › Journal article › Research › peer-review

• IR intensity: Lorentz epsilon curve from 'Gaussian' FREQ output

  Spanget-Larsen, J., 9 Jun 2015

  Research output: Other contribution › Net publication - Internet publication › Communication

• Lecture Notes: Approximate Molecular Orbital Theory

  Spanget-Larsen, J., 30 Aug 2015

  Research output: Other contribution › Net publication - Internet publication › Education

  Open Access

• Lecture Notes: Molecular Vibrational Symmetry Analysis

  Spanget-Larsen, J., 2015

  Research output: Other contribution › Net publication - Internet publication › Education

  Open Access

• Molecular and vibrational structure of diphenylether and its 4,4' -dibromo derivative. Infrared linear dichroism spectroscopy and density functional theory calculations

  Eriksen, T. K., Karlsen, E. & Spanget-Larsen, J., Feb 2015

  Research output: Other contribution › Net publication - Internet publication › Research

  Open Access

• Problems in Quantum Chemistry and Spectroscopy

  Spanget-Larsen, J., 2015

  Research output: Other contribution › Net publication - Internet publication › Education

• Vibrational motion in a symmetric, double minimum potential

  Spanget-Larsen, J., 2015

  Research output: Other contribution › Net publication - Internet publication › Communication

  Open Access
• 2014

  Computer Program LCOAO: Linear Combination of Orthogonalized Atomic Orbitals

  Spanget-Larsen, J. (Producer), 1 Dec 2014

  Research output: Non-textual form › Computer programme › Research

• Computer Program NIKE: Numerical Integration of Kinetic Equations

  Spanget-Larsen, J. (Producer), 4 Dec 2014

  Research output: Non-textual form › Computer programme › Research

• Intramolecular Hydrogen Bonding in (2-Hydroxybenzoyl)benzoylmethane Enol

  Hansen, B. K. V., Winther, M. & Spanget-Larsen, J., Dec 2014

  Research output: Other contribution › Net publication - Internet publication › Research

• Molecular Symmetry and Optical Transitions

  Spanget-Larsen, J., 2014, Roskilde Universitet.

  Research output: Book/Report › Compendium/lecture notes

• Structure of protic ionic liquids studies by NMR, IR and DFT calculations. An isotope effect study

  Hansen, P. E., Lund, T., Krake, J., Hvidt, S. & Spanget-Larsen, J., 2 Feb 2014.

  Research output: Contribution to conference › Poster › Research › peer-review

• 2013

  Electronic states of the fluorophore 9,10-bis(phenylethynyl)anthracene (BPEA): A synchrotron radiation linear dichroism investigation

  Thulstrup, P. W., Jones, N. C., Hoffmann, S. V. & Spanget-Larsen, J., Feb 2013, In: Chemical Physics Letters. 559, p. 35-40 6 p.

  Research output: Contribution to journal › Journal article › Research › peer-review

• Molecular and vibrational structure of thiosulfonate S-esters

  Luu, T. X. T., Duus, F. & Spanget-Larsen, J., 2013, In: Journal of Molecular Structure: THEOCHEM. 1049, p. 165-171 7 p.

  Research output: Contribution to journal › Journal article › Research › peer-review

• Photo-physics study of an hydroxy-quinoline derivative as inhibitor of Pim-1 kinase: Ultraviolet-visible linear dichroism spectroscopy and quantum chemical calculations

  Lamhasni, T., Aitlyazidi, S., Hnach, M., Haddad, M., Desmaële, D., Spanget-Larsen, J., Nguyen, D. D. & Ducasse, L., 2013, In: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 113, p. 452-458 7 p.

  Research output: Contribution to journal › Journal article › Research › peer-review
• 2012

  Dye-sensitized solar cells and complexes between pyridines and iodines: A NMR, IR and DFT study

  Hansen, P. E., Phuong, N. T., Krake, J., Spanget-Larsen, J. & Lund, T., 2012, In: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 98, p. 247-251 5 p.

  Research output: Contribution to journal › Journal article › Research › peer-review

• Dye-sensitized Solar Cells and Complexes between Pyridines and Iodines. A NMR, IR and DFT study

  Hansen, P. E., Phuong, N. T., Krake, J., Spanget-Larsen, J. & Lund, T., 2012. 1 p.

  Research output: Contribution to conference › Poster › Research

• Easy prediction of primary and secondary deuterium isotope effects on chemical shifts of intramolecularly hydrogen bonded systems

  Hansen, P. E. & Spanget-Larsen, J., 5 Feb 2012.

  Research output: Contribution to conference › Poster › Research › peer-review