Photo of Jens Spanget-Larsen

Jens Spanget-Larsen

DSc

  • Universitetsvej 1, 28C.2

    DK-4000 Roskilde

    Denmark

1976 …2020

Research output per year

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Research Output

2020

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

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

Research output: Contribution to journalJournal articleResearchpeer-review

2019

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

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

Research output: Contribution to journalJournal articleResearchpeer-review

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 journalJournal articleResearchpeer-review

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 journalJournal articleResearchpeer-review

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 journalJournal articleResearchpeer-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 journalJournal articleResearchpeer-review

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 proceedingBook chapterResearchpeer-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 journalJournal articleResearchpeer-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

Research output: Contribution to journalJournal articleResearchpeer-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 journalJournal articleResearchpeer-review

2017

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 journalJournal articleResearchpeer-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 journalJournal articleResearchpeer-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

Research output: Contribution to journalReviewResearchpeer-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 proceedingBook chapterResearch

Exercises in Computational Chemistry

Spanget-Larsen, J., 6 Jan 2016

Research output: Other contributionNet publication - Internet publicationEducation

Open Access
File

Lecture Notes: Three Lectures in Computational Chemistry

Spanget-Larsen, J., 6 Jan 2016

Research output: Other contributionNet publication - Internet publicationEducation

Open Access
File

Solutions to selected exercise problems in quantum chemistry and spectroscopy

Spanget-Larsen, J., 10 Sep 2016

Research output: Other contributionNet publication - Internet publicationEducation

Open Access
File

Spectrophotometric determination of association constant: Computer program STEP

Spanget-Larsen, J., 3 Feb 2016

Research output: Non-textual formDatasetResearch

Open Access
File

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 journalJournal articleResearchpeer-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 journalJournal articleResearchpeer-review

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

Spanget-Larsen, J., 9 Jun 2015

Research output: Other contributionNet publication - Internet publicationCommunication

Lecture Notes: Approximate Molecular Orbital Theory

Spanget-Larsen, J., 30 Aug 2015

Research output: Other contributionNet publication - Internet publicationEducation

Open Access

Lecture Notes: Molecular Vibrational Symmetry Analysis

Spanget-Larsen, J., 2015

Research output: Other contributionNet publication - Internet publicationEducation

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 contributionNet publication - Internet publicationResearch

Open Access

Problems in Quantum Chemistry and Spectroscopy

Spanget-Larsen, J., 2015

Research output: Other contributionNet publication - Internet publicationEducation

Vibrational motion in a symmetric, double minimum potential

Spanget-Larsen, J., 2015

Research output: Other contributionNet publication - Internet publicationCommunication

Open Access
2014

Computer Program LCOAO: Linear Combination of Orthogonalized Atomic Orbitals

Spanget-Larsen, J., 1 Dec 2014

Research output: Other contributionNet publication - Internet publicationResearch

Computer Program NIKE: Numerical Integration of Kinetic Equations

Spanget-Larsen, J., 4 Dec 2014

Research output: Other contributionNet publication - Internet publicationResearch

Intramolecular Hydrogen Bonding in (2-Hydroxybenzoyl)benzoylmethane Enol

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

Research output: Other contributionNet publication - Internet publicationResearch

Molecular Symmetry and Optical Transitions

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

Research output: Book/ReportCompendium/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 conferencePosterResearchpeer-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 journalJournal articleResearchpeer-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 journalJournal articleResearchpeer-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 journalJournal articleResearchpeer-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 journalJournal articleResearchpeer-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 conferencePosterResearch

Electronic states of 1,4-bis(phenylethynyl)benzene: A synchrotron radiation linear dichroism investigation

Nguyen, D. D., Jones, N. C., Hoffmann, S. V., Andersen, S. H., Thulstrup, P. W. & Spanget-Larsen, J., 2012, In : Chemical Physics. 392, 1, p. 130-135 6 p.

Research output: Contribution to journalJournal articleResearchpeer-review

On prediction of OH stretching frequencies in intramolecularly hydrogen bonded systems

Hansen, P. E. & Spanget-Larsen, J., 27 Jun 2012, In : Journal of Molecular Structure: THEOCHEM. 1018, p. 8-13 6 p.

Research output: Contribution to journalJournal articleResearchpeer-review

Molecular Applications of Linear Dichroism Spectroscopy

Spanget-Larsen, J., 26 Jan 2011, In : Polarization Spectroscopy of Ordered Systems - PSOS.

Research output: Contribution to journalLetterResearch

NGHIÊN CỨU PHỔ HỒNG NGOẠI CỦA PHẢN ỨNG GIỮA DẪN XUẤT PYRIDIN VỚI IOD TRÊN NỀN POLYETYLEN

Translated title of the contribution: Spectroscopic investigation of the reactions of pyridine derivatives with iodine in a polyethylene matrixNguyen, T. H., Nguyen, T. T. M. & Spanget-Larsen, J., 15 Aug 2011, In : Vietnam Journal of Chemistry. 49, 2A, p. 170-175 6 p.

Research output: Contribution to journalJournal articleResearch

OH stretching frequencies in systems with intramolecular hydrogen bonds: Harmonic and anharmonic analyses

Spanget-Larsen, J., Hansen, B. K. V. & Hansen, P. E., 2011, In : Chemical Physics. 389, 1-3, p. 107-115 9 p.

Research output: Contribution to journalJournal articleResearchpeer-review

Unique interplay between electronic states and dihedral angle for the molecular rotor diphenyldiacetylene

Thulstrup, P. W., Hoffmann, S. V., Hansen, B. K. V. & Spanget-Larsen, J., 2011, In : Physical Chemistry Chemical Physics. 13, 36, p. 16168-16174 7 p.

Research output: Contribution to journalJournal articleResearchpeer-review

2010

Computerkemi som redskab i løsningen af kemiske problemer: Kvantekemiske modelberegninger og infrarød spektroskopi er en stærk kombination

Translated title of the contribution: Computational chemistry as a tool in the solution of chemical problems: Quantum chemical model calculations and infrared spectroscopy is a strong combinationSpanget-Larsen, J., Nov 2010, In : Dansk Kemi. 91, 11, p. 25-26 2 p.

Research output: Contribution to journalJournal articleCommunication

Electronic transitions of fluorene, dibenzofuran, carbazole, and dibenzothiophene: From the onset of absorption to the ionization treshold

Nguyen, D. D., Trunk, J., Nakhimovsky, L. & Spanget-Larsen, J., 2010, In : Journal of Molecular Spectroscopy. 264, 1, p. 19-25 7 p.

Research output: Contribution to journalJournal articleResearchpeer-review

Synchrotron radiation linear dichroism (SRLD) investigation of the electronic transitions of quinizarin, chrysazin, and anthrarufin

Nguyen, D. D., Jones, N. C., Hoffmann, S. V. & Spanget-Larsen, J., 2010, In : Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 77, 1, p. 279-286

Research output: Contribution to journalJournal articleResearchpeer-review