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Frank Jensen

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  1. 2023
  2. Published
    Quantifying Intramolecular Basis Set Superposition Errors. / Pitteloud, Quentin; Wind, Peter; Jensen, Stig Rune et al.
    In: Journal of Chemical Theory and Computation, Vol. 19, No. 17, 12.09.2023, p. 5863-5871.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  3. Published
    Dissociative ionization and Coulomb explosion of CH4 in two-color asymmetric intense laser fields. / Hasegawa, H.; Matsuda, A.; Morishita, T. et al.
    In: Physical Chemistry Chemical Physics, Vol. 25, No. 37, 09.2023, p. 25408-25419.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  4. Published
    Nonadiabatic Laser-Induced Alignment Dynamics of Molecules on a Surface. / Kranabetter, Lorenz; Kristensen, Henrik H; Ghazaryan, Areg et al.
    In: Physical Review Letters, Vol. 131, No. 5, 053201, 08.2023.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  5. Published
    Unifying Charge-Flow Polarization Models. / Jensen, Frank.
    In: Journal of Chemical Theory and Computation, Vol. 19, No. 13, 11.07.2023, p. 4047-4073.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  6. Published
    The primary photolysis of aqueous carbonate di-anions. / Thøgersen, Jan; Weidner, Tobias; Jensen, Frank.
    In: Physical chemistry chemical physics : PCCP, Vol. 25, No. 20, 24.05.2023, p. 14104-14116.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  7. Published
    Peptide Bond of Aqueous Dipeptides Is Resilient to Deep Ultraviolet Irradiation. / Thøgersen, Jan; Chatterley, Adam S.; Weidner, Tobias et al.
    In: Journal of the American Chemical Society, Vol. 145, No. 17, 05.2023, p. 9777–9785.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  8. Published
    Basis Set Extrapolation of Vibrational Frequencies. / Jensen, Frank.
    In: Journal of Physical Chemistry A, Vol. 127, No. 12, 03.2023, p. 2859–2863.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  9. Published
    Laser-induced Coulomb explosion imaging of alkali-metal dimers on helium nanodroplets. / Kristensen, Henrik H.; Kranabetter, Lorenz; Schouder, Constant A. et al.
    In: Physical Review A, Vol. 107, No. 2, 023104, 02.2023.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  10. E-pub ahead of print
    A computer-based solution to the oxidation kinetics of fluorinated and oxygenated volatile organic compounds. / Viegas, Luís P.; Jensen, Frank.
    In: Environmental Science: Atmospheres, 2023.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  11. 2022
  12. Published
    Theoretical Sum Frequency Generation Spectra of Protein Amide with Surface-Specific Velocity-Velocity Correlation Functions. / Strunge, Kris; Madzharova, Fani; Jensen, Frank et al.
    In: Journal of Physical Chemistry B, Vol. 126, No. 42, 10.2022, p. 8571-8578.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  13. Published
    The primary photo-dissociation dynamics of aqueous formamide and dimethylformamide. / Thøgersen, Jan; Weidner, Tobias; Jensen, Frank.
    In: Physical Chemistry Chemical Physics, Vol. 24, No. 40, 10.2022, p. 24695-24705.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  14. Published
    The oxygen–organic molecule photosystem: revisiting the past, recalibrating the present, and redefining the future. / Thorning, Frederik; Jensen, Frank; Ogilby, Peter Remsen.
    In: Photochemical & Photobiological Sciences, Vol. 21, No. 7, 07.2022, p. 1133-1141.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  15. Published
    Asymmetric Dissociative Tunneling Ionization of Tetrafluoromethane in ω − 2ω Intense Laser Fields. / Hasegawa, Hiroka; Walmsley, Tiffany; Matsuda, Akitaka et al.
    In: Frontiers in chemistry, Vol. 10, 857863, 04.2022.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  16. Published
    Helicity-dependent dissociative tunneling ionization of CF4 in multicycle circularly polarized intense laser fields. / Fujise, H.; Uemura, M.; Hasegawa, H. et al.
    In: Physical Chemistry Chemical Physics, Vol. 24, No. 15, 04.2022, p. 8962-8969.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  17. Published
    The primary photo-dissociation dynamics of lactic acid: decarboxylation as CO2 and CO2˙−†. / Thøgersen, Jan; Weidner, Tobias; Jensen, Frank.
    In: Physical Chemistry Chemical Physics, Vol. 24, No. 11, 03.2022, p. 6880-6889.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  18. Published
    Computational Chemistry: The Exciting Opportunities and the Boring Details. / Jensen, Frank.
    In: Israel Journal of Chemistry, Vol. 62, No. 1-2, e202100027, 02.2022.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  19. Published
    Geometry Dependence of Spin-Orbit Coupling in Complexes of Molecular Oxygen with Atoms, H2, or Organic Molecules. / Thorning, Frederik; Jensen, Frank; Ogilby, Peter Remsen.
    In: Journal of Physical Chemistry A, Vol. 126, No. 6, 02.2022, p. 834-844.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  20. Published
    Using atomic charges to model molecular polarization. / Jensen, Frank.
    In: Physical Chemistry Chemical Physics, Vol. 24, No. 4, 01.2022, p. 1926-1943.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  21. 2021
  22. Published
    Interaction of Amyloid-β-(1-42) Peptide and Its Aggregates with Lipid/Water Interfaces Probed by Vibrational Sum-Frequency Generation Spectroscopy. / Strazdaite, S.; Roeters, S. J.; Sakalauskas, A. et al.
    In: Journal of Physical Chemistry B, Vol. 125, No. 40, 10.2021, p. 11208-11218.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  23. Published
    The complex between molecular oxygen and an organic molecule: modeling optical transitions to the intermolecular charge-transfer state. / Thorning, Frederik; Strunge, Kris; Jensen, Frank et al.
    In: Physical Chemistry Chemical Physics, Vol. 23, No. 28, 07.2021, p. 15038-15048.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  24. Published
    Probing Basis Set Requirements for Calculating Core Ionization and Core Excitation Spectra Using Correlated Wave Function Methods. / Ambroise, Maximilien A.; Dreuw, Andreas; Jensen, Frank.
    In: Journal of Chemical Theory and Computation, Vol. 17, No. 5, 05.2021, p. 2832-2842.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  25. Published
    The primary photolysis dynamics of oxalate in aqueous solution: decarboxylation. / Thøgersen, Jan; Weidner, Tobias; Jensen, Frank.
    In: Physical Chemistry Chemical Physics, Vol. 23, No. 16, 04.2021, p. 10040-10050.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  26. Published
    The primary photo-dissociation dynamics of lactate in aqueous solution: decarboxylation prevents dehydroxylation. / Thøgersen, Jan; Vaida, Veronica; Bregnhøj, Mikkel et al.
    In: Physical Chemistry Chemical Physics, Vol. 23, No. 8, 02.2021, p. 4555-4568.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  27. Published
    Representing Exact Electron Densities by a Single Slater Determinant in Finite Basis Sets. / Jakobsen, Philip; Jensen, Frank.
    In: Journal of Chemical Theory and Computation, Vol. 17, No. 1, 01.2021, p. 269-276.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  28. 2020
  29. Published
    Laser-induced Coulomb-explosion imaging of the CS2 dimer: The effect of non-Coulombic interactions. / Schouder, Constant Alexandre; Chatterley, Adam Simon; Madsen, Lars Bojer et al.
    In: Physical Review A, Vol. 102, No. 6, 063125, 12.2020.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  30. Published
    Polarizable charges in a generalized Born reaction potential. / Poier, Pier Paolo; Jensen, Frank.
    In: The Journal of Chemical Physics, Vol. 153, No. 2, 024111, 07.2020.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  31. Published
    Gas-phase action and fluorescence spectroscopy of mass-selected fluorescein monoanions and two derivatives. / Kjær, Christina; Hansson, Rikke F.; Hedberg, Christinne et al.
    In: Physical Chemistry Chemical Physics, Vol. 22, No. 17, 05.2020, p. 9210-9215.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  32. Published
    The primary photo-dissociation dynamics of amino acids in aqueous solution: Breaking the Cα-bond. / Madsen, Marlene Møller; Jensen, Frank; Thøgersen, Jan.
    In: Physical Chemistry Chemical Physics, Vol. 22, No. 4, 01.2020, p. 2307-2318.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  33. Published
    Modeling the Effect of Solvents on Nonradiative Singlet Oxygen Deactivation: Going beyond Weak Coupling in Intermolecular Electronic-to-Vibrational Energy Transfer. / Thorning, Frederik; Jensen, Frank; Ogilby, Peter Remsen.
    In: Journal of Physical Chemistry B, Vol. 124, 2020, p. 2245-2254.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  34. Published
    Reactivity of α,ω-Dihydrofluoropolyethers toward OH Predicted by Multiconformer Transition State Theory and the Interacting Quantum Atoms Approach. / Viegas, Luı S.P.; Jensen, Frank.
    In: The journal of physical chemistry. A, Vol. 124, No. 17, 2020, p. 3460-3470.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  35. Published
    Structure, DFT based investigations on vibrational and nonlinear optical behavior of a new guanidinium cobalt thiocyanate complex. / Triki, H.; Nagy, B.; Overgaard, J. et al.
    In: Structural Chemistry, Vol. 31, No. 1, 2020, p. 103-114.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  36. 2019
  37. Published
    Probing basis set requirements for calculating hyperfine coupling constants. / Jakobsen, Philip; Jensen, Frank.
    In: Journal of Chemical Physics, Vol. 151, No. 17, 174107, 11.2019.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  38. Published
    Including implicit solvation in the bond capacity polarization model. / Poier, Pier Paolo; Jensen, Frank.
    In: Journal of Chemical Physics, Vol. 151, No. 11, 114118, 09.2019.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  39. Published
    Torsional effects in strong-field ionization of molecules. / Dnestryan, Andrey I.; Tolstikhin, Oleg I.; Jensen, Frank et al.
    In: Physical Review Research , Vol. 1, No. 2, 023018, 09.2019.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  40. Published
    Describing Molecular Polarizability by a Bond Capacity Model. / Poier, Pier Paolo; Jensen, Frank.
    In: Journal of Chemical Theory and Computation, Vol. 15, No. 5, 05.2019, p. 3093-3107.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  41. Published
    Tungsten Iodide Clusters as Singlet Oxygen Photosensitizers: Exploring the Domain of Resonant Energy Transfer at 1 eV. / Bregnhøj, Mikkel; Strunge, Kris; Sørensen, Rasmus Juhl et al.
    In: Journal of Physical Chemistry A, Vol. 123, No. 9, 02.2019, p. 1730-1739.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  42. Published
    Probing Basis Set Requirements for Calculating Core Ionization and Core Excitation Spectroscopy by the Δ Self-Consistent-Field Approach. / Ambroise, Maximilien A. ; Jensen, Frank.
    In: Journal of Chemical Theory and Computation, Vol. 15, No. 1, 01.2019, p. 325-337.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  43. Published
    Molecular Dynamics Using Nonvariational Polarizable Force Fields: Theory, Periodic Boundary Conditions Implementation, and Application to the Bond Capacity Model. / Poier, Pier Paolo; Lagardère, Louis; Piquemal, Jean Philip et al.
    In: Journal of Chemical Theory and Computation, Vol. 15, No. 11, 2019, p. 6213-6224.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  44. Published
    The primary photo-dissociation dynamics of carboxylate anions in aqueous solution: decarboxylation. / Madsen, Marlene Møller; Jensen, Frank; Jensen, Svend Knak et al.
    In: Physical Chemistry Chemical Physics, Vol. 21, No. 14, 2019, p. 7358-7366.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  45. 2018
  46. Published
    Structure factors for tunneling ionization rates of molecules: General grid-based methodology and convergence studies. / Dnestryan, Andrey I.; Tolstikhin, Oleg I.; Madsen, Lars Bojer et al.
    In: The Journal of Chemical Physics, Vol. 149, No. 16, 164107, 28.10.2018, p. 164107-1 - 164107-9.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  47. Published
    Method Calibration or Data Fitting? / Jensen, Frank.
    In: Journal of Chemical Theory and Computation, Vol. 14, No. 9, 11.09.2018, p. 4651-4661.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  48. Published
    Accelerating Kohn-Sham response theory using density fitting and the auxiliary-density-matrix method. / Kumar, Chandan; Fliegl, Heike; Jensen, Frank et al.
    In: International Journal of Quantum Chemistry, Vol. 118, No. 16, e25639, 15.08.2018.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  49. Published
    Development of polarization consistent basis sets for spin-spin coupling constant calculations for the atoms Li, Be, Na, and Mg. / Aggelund, Patrick A.; Sauer, Stephan P.A.; Jensen, Frank.
    In: Journal of Chemical Physics, Vol. 149, No. 4, 044117, 28.07.2018.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  50. Published
    Structural Investigation of Ye'elimite, Ca4Al6O12SO4, by 27Al MAS and MQMAS NMR at Different Magnetic Fields. / Pedersen, Malene Thostrup; Jensen, Frank; Skibsted, Jørgen.
    In: Journal of Physical Chemistry C, Vol. 122, No. 22, 07.06.2018, p. 12077-12089.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  51. 2017
  52. Published
    Attosecond transient absorption spectroscopy of molecular nitrogen: Vibrational coherences in the b' 1Σ+u statestate+. / Warrick, Erika R.; Baekhoj, Jens E.; Cao, Wei et al.
    In: Chemical Physics Letters, Vol. 683, 01.09.2017, p. 408-415.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  53. Published
    Probing the Importance of Charge Flux in Force Field Modeling. / Sedghamiz, Elaheh; Nagy, Balazs; Jensen, Frank.
    In: Journal of Chemical Theory and Computation, Vol. 13, No. 8, 08.08.2017, p. 3715-3721.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  54. Published
    Structure factors for tunneling ionization rates of molecules: General Hartree-Fock-based integral representation. / Madsen, Lars Bojer; Jensen, Frank; Dnestryan, Andrey I. et al.
    In: Physical Review A, Vol. 96, No. 1, 013423, 25.07.2017.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  55. Published
    How Large is the Elephant in the Density Functional Theory Room? / Jensen, Frank.
    In: Journal of Physical Chemistry A, Vol. 121, No. 32, 19.07.2017, p. 6104-6107.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  56. Published
    Using valence bond methods to estimate intramolecular basis set superposition errors. / Jensen, Frank.
    In: Journal of Chemical Physics, Vol. 146, No. 18, 184109, 14.05.2017.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  57. Published
    Basis Sets in Quantum Chemistry. / Nagy, Balazs; Jensen, Frank.
    Reviews in computational chemistry. ed. / Abby L. Parrill; Kenny Lipkowitz. Vol. 30 Wiley: Wiley, 2017. p. 93-150.

    Research output: Contribution to book/anthology/report/proceeding › Book chapter › Research › peer-review

  58. Published
    Experimental and Theoretical Studies on the Reduction of CO2 to CO with Chloro(methyl)disilane Components from the Direct Process. / Flinker, Mathias ; Lopez, Sara ; Nielsen, Dennis Ulsøe et al.
    In: SYNLETT: Accounts and Rapid Communications in Chemical Synthesis, Vol. 28, No. 18, 2017, p. 2439-2444.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  59. Published
    Introduction to Computational Chemistry 3rd. ed. / Jensen, Frank.
    3rd ed. ed. Chichester, UK: Wiley, 2017. 664 p.

    Research output: Book/anthology/dissertation/report › Book › Education › peer-review

  60. Published
    Local decomposition of imaginary polarizabilities and dispersion coefficients. / Harczuk, Ignat; Nagy, Balazs; Jensen, Frank et al.
    In: Physical Chemistry Chemical Physics, Vol. 19, No. 30, 2017, p. 20241-20250.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  61. Published
    Protonation of Aqueous Alanine by Photoionization of Water. / Thøgersen, Jan; Coletta, Andrea; Keiding, Søren Rud et al.
    In: Physical Chemistry Chemical Physics, Vol. 19, No. 2, 2017, p. 1560-1570.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  62. Published
    Synthesis of ent-BE-43547A1 reveals a potent hypoxia-selective anticancer agent and uncovers the biosynthetic origin of the APD-CLD natural products. / Villadsen, Nikolaj Lilholm; Jacobsen, Kristian Mark; Keiding, Ulrik et al.
    In: Nature Chemistry, Vol. 9, No. 3, 2017, p. 264-272.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  63. 2016
  64. Published
    Enantioselective Organocatalytic Cascade Approach to Different Classes of Benzofused Acetals. / Paz, Bruno Matos; Klier, Lydia; Næsborg, Line et al.
    In: Chemistry: A European Journal, Vol. 22, No. 47, 14.11.2016, p. 16810–16818.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  65. Published
    Grundlæggende kemi. / Christensen, Jørn Bolstad; Jensen, Frank; Thaulov Andersen, Jens Enevold et al.
    1 ed. Gyldendal, 2016. 482 p.

    Research output: Book/anthology/dissertation/report › Book › Education › peer-review

  66. Published
    Enantioselective Formal [4+2] Cycloadditions to 3-Nitroindoles by Trienamine Catalysis: Synthesis of Chiral Dihydrocarbazoles. / Li, Yang; Tur, Fernando; Nielsen, Rune et al.
    In: Angewandte Chemie International Edition, Vol. 55, No. 3, 18.01.2016, p. 1020-1024.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  67. Published
    Conformational Interconversions of Amino Acid Derivatives. / Kaminský, Jakub; Jensen, Frank.
    In: Journal of Chemical Theory and Computation, Vol. 12, No. 2, 2016, p. 694-705.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  68. Published
    Dynamic resolution of 2-cyclohexylidene acetaldehydes through organocatalytic dienamine [4+2] cycloaddition. / Blom, Jakob; Johansen, Tore Kiilerich; Jensen, Frank et al.
    In: Chemical Communications, Vol. 52, No. 44, 2016, p. 7153-7156.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  69. Published
    Searching the Force Field Electrostatic Multipole Parameter Space. / Jakobsen, Sofie; Jensen, Frank.
    In: Journal of Chemical Theory and Computation, Vol. 12, No. 4, 2016, p. 1824-1832.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  70. Published
    Solvent-dependent singlet oxygen lifetimes: temperature effects implicate tunneling and charge-transfer interactions. / Bregnhøj, Mikkel; Westberg, Michael; Jensen, Frank et al.
    In: Physical Chemistry Chemical Physics, Vol. 18, No. 33, 2016, p. 22946-22961.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  71. 2015
  72. Published
    Role of Multi-Electron Effects in the Asymmetry of Strong-Field Ionization and Fragmentation of Polar Molecules: The Methyl Halide Series. / Walt, Samuel G.; Bhargava Ram, N.; Von Conta, Aaron et al.
    In: Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, Vol. 119, No. 49, 10.12.2015, p. 11772-11782.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  73. Published
    Measurement and laser control of attosecond charge migration in ionized iodoacetylene. / Kraus, P.M.; Mignolet, B.; Baykusheva, D. et al.
    In: Science, Vol. 350, No. 6262, 13.11.2015, p. 790-795 .

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  74. Published
    Organocatalytic Asymmetric 1,6-Addition/1,4-Addition Sequence to 2,4-Dienals for the Synthesis of Chiral Chromans. / Poulsen, Pernille H; Feu, Karla Santos; Paz, Bruno Matos et al.
    In: Angewandte Chemie International Edition, Vol. 54, No. 28, 06.07.2015, p. 8203-8207.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  75. Published
    Synthesis and evaluation of galacto-noeurostegine and its 2-deoxy analogue as glycosidase inhibitors. / Salamone, Stéphane; Clement, Lise L.; Viuff, Agnete H et al.
    In: Organic & Biomolecular Chemistry, Vol. 13, No. 29, 26.06.2015, p. 7979-7992.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  76. Published
    Observation of laser-induced electronic structure in oriented polyatomic molecules. / Kraus, P.M.; Tolstikhin, O. I.; Baykusheva, D. et al.
    In: Nature Communications, Vol. 6, 7039, 05.05.2015, p. 1-8.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  77. Published
    The same number of optimized parameters scheme for determining intermolecular interaction energies. / Kristensen, Kasper; Ettenhuber, Patrick; Eriksen, Janus Juul et al.
    In: Journal of Chemical Physics, Vol. 142, 114116, 20.03.2015.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  78. Published
    Segmented contracted basis sets optimized for nuclear magnetic shielding. / Jensen, Frank.
    In: Journal of Chemical Theory and Computation, Vol. 11, No. 1, 01.2015, p. 132-138.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  79. Published
    Primary photochemistry of peroxynitrite in aqueous solution. / Thøgersen, Jan; Kissner, Reinhard; Nauser, Thomas et al.
    In: Chemical Physics Letters, Vol. 641, 2015, p. 187-192.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  80. Published
    Toward an Enhanced Sampling Molecular Dynamics Method for Studying Ligand-Induced Conformational Changes in Proteins. / Andersen, Ole Juul; Grouleff, Julie; Needham, Perri et al.
    In: Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, Vol. 119, No. 46, 2015, p. 14594-14603.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  81. 2014
  82. Published
    Systematic Improvement of Potential-Derived Atomic Multipoles and Redundancy of the Electrostatic Parameter Space. / Jakobsen, Sofie; Jensen, Frank.
    In: Journal of Chemical Theory and Computation, Vol. 10, No. 12, 12.2014, p. 5493-5504.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  83. Published
    Comprehensive Analysis of Energy Minima of the 20 Natural Amino Acids. / Yuan, Yongna; Mills, Matthew J. L.; Popelier, Paul L. A. et al.
    In: Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, Vol. 118, No. 36, 09.2014, p. 7876-7891.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  84. Published
    On the photostability of peptides after selective photoexcitation of the backbone: Prompt versus slow dissociation. / Byskov, Camilla Skinnerup; Jensen, Frank; Jørgensen, Thomas J D et al.
    In: Physical Chemistry Chemical Physics, Vol. 16, No. 30, 14.08.2014, p. 15831-15838.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  85. Published
    A Novel Class of Bis- and Tris-Chelate Diam(m)inebis(dicarboxylato)platinum(IV) Complexes as Potential Anticancer Prodrugs. / Varbanov, Hristo P.; Goeschl, Simone; Heffeter, Petra et al.
    In: Journal of Medicinal Chemistry, Vol. 57, No. 15, 08.2014, p. 6751-6764.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  86. Published
    Application of the weak-field asymptotic theory to tunneling ionization of H2O. / Madsen, Lars Bojer; Jensen, Frank; Tolstikhin, Oleg I. et al.
    In: Physical Review A, Vol. 89, 033412, 12.03.2014.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  87. Published
    Unifying general and segmented contracted basis sets. Segmented polarization consistent basis sets. / Jensen, Frank.
    In: Journal of Chemical Theory and Computation, Vol. 10, No. 3, 11.03.2014, p. 1074-1085.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  88. Published
    Lifetime measurement of the first vibrationally excited state of MgH+ in a cryogenic Paul Trap (CryPTEx). / Versolato, O. O.; Schwarz, M.; Hansen, Anders Kragh et al.
    CPEM Digest (Conference on Precision Electromagnetic Measurements). Institute of Electrical and Electronics Engineers Inc., 2014. p. 56-57 6898256.

    Research output: Contribution to book/anthology/report/proceeding › Article in proceedings › Research › peer-review

  89. Published
    Spectroscopy and picosecond dynamics of aqueous NO2. / Gadegaard, Ane Riis; Thøgersen, Jan; Jensen, Svend Knak et al.
    In: Journal of Chemical Physics, Vol. 141, No. 6, 064310, 2014.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  90. 2013
  91. Published
    Decay Rate Measurement of the First Vibrationally Excited State of MgH+ in a Cryogenic Paul Trap. / Versolato, O.O.; Schwarz, M.; Hansen, A.K. et al.
    In: Physical Review Letters, Vol. 111, No. 5, 30.07.2013, p. 053002.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  92. Published
    Structure factors for tunneling ionization rates of molecules. / Madsen, L.B.; Jensen, F.; Tolstikhin, O.I. et al.
    In: Physical Review A, Vol. 87, No. 1, 07.01.2013, p. 013406.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  93. Published
    Analysis of energy-optimized Gaussian basis sets for condensed phase density functional calculations. / Jensen, F.
    In: Theoretical Chemistry Accounts, Vol. 132, No. 8, 1380, 2013.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  94. Published
    Atomic orbital basis sets. / Jensen, Frank.
    In: Wiley Interdisciplinary Reviews: Computational Molecular Science, Vol. 3, No. 3, 2013, p. 273-295.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  95. Published
    Electrostatic potential of insulin: Exploring the limitations of density functional theory and force field methods. / Jakobsen, S.; Kristensen, K.; Jensen, F.
    In: Journal of Chemical Theory and Computation, Vol. 9, No. 9, 2013, p. 3978-3985.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  96. Published
    Polarization consistent basis sets. VIII. the transition metals Sc-Zn. / Jensen, Frank.
    In: Journal of Chemical Physics, Vol. 138, No. 1, 014107, 2013.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  97. Published
    Theoretical investigations and density functional theory based quantitative structure activity relationships model for novel cytotoxic Pt(IV) complexes. / Varbanov, Hristo P.; Jakupec, Michael A.; Roller, Alexander et al.
    In: Journal of Medicinal Chemistry, Vol. 56, No. 1, 2013, p. 330-344.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  98. 2012
  99. Published
    Polarization Consistent Basis Sets. VII. The Elements K, Ca, Ga, Ge, As, Se, Br and Kr. / Jensen, Frank.
    In: Journal of Chemical Physics, Vol. 136, No. 11, 16.03.2012.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  100. Published
    A study of different DFT functionals for the description of charge transfer states in the photomagnetic compound [Nd(C3H7NO)4(H2O)3]-μ-CN[Fe(CN)5]·H2O. / Thomsen, Maja Krüger; Jensen, Frank; Iversen, Bo Brummerstedt.
    2012. Poster session presented at iNANO Annual Meeting 2012, Aarhus, Denmark.

    Research output: Contribution to conference › Poster › Research

  101. Published
    Basis Set Recommendations for DFT Calculations of Gas-Phase Optical Rotation at Different Wavelengths. / Hedegård, Erik D.; Jensen, Frank; Kongsted, Jacob.
    In: Journal of Chemical Theory and Computation, Vol. 8, No. 11, 2012, p. 4425–4433.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  102. Published
    Cross-trienamines in Asymmetric Organocatalysis. / Halskov, Kim Søholm; Johansen, Tore Kiilerich; Davis, Rebecca et al.
    In: Journal of the American Chemical Society, Vol. 134, No. 31, 2012, p. 12943-12946.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  103. 2011
  104. Published
    Duplex and triplex formation of mixed pyrimidine oligonucleotides with stacking of phenyl-triazole moieties in the major groove. / Andersen, Nicolai Krog; Døssing, Holger Balslev; Jensen, Frank et al.
    In: Journal of Organic Chemistry, Vol. 76, No. 15, 2011, p. 6177-87.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  105. Published
    Harmonic Vibrational Analysis in Delocalized Internal Coordinates. / Jensen, Frank; Palmer, David S. .
    In: Journal of Chemical Theory and Computation, Vol. 7, No. 1, 2011, p. 223-230.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  106. Published
    Predicting large-scale conformational changes in proteins using energy-weighted normal modes. / Palmer, David S; Jensen, Frank.
    In: Proteins: Structure, Function, and Bioinformatics, Vol. 79, No. 10, 2011, p. 2778-93.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  107. Published
    Searching Peptide Conformational Space. / Grouleff, Julie; Jensen, Frank.
    In: Journal of Chemical Theory and Computation, Vol. 7, No. 6, 2011, p. 1783-1790.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  108. Published
    Synthesis and inhibiting activity of some 4-hydroxycoumarin derivatives on HIV-1 protease. / Stanchev, Stancho ; Jensen, Frank; Hinkov, Anton et al.
    In: ISRN Pharmaceutics, 2011.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  109. 2010
  110. Published
    Describing Anions by Density Functional Theory: Fractional Electron Affinity. / Jensen, Frank.
    In: Journal of Chemical Theory and Computation, Vol. 6, No. 9, 26.08.2010, p. 2726-2735.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  111. Published
    Accurate calculations of the Hydration Free Energies of Drug-like Molecules using the Reference Interaction Site Model. / Palmer, David S.; Sergiievskyi, V. P.; Jensen, Frank et al.
    In: Journal of Chemical Physics, Vol. 133, 2010, p. 044104-1 - 044104-11.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  112. Published
    An Atomic Counterpoise Method for Estimating Inter- and Intra-molecular Basis Set Superposition Errors. / Jensen, Frank.
    In: Journal of Chemical Theory and Computation, Vol. 6, 2010, p. 100-108.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  113. Published
    Efficient RNA-targeting by the Introduction of Aromatic Stacking in the Duplex Major Groove via 5-(1-phenyl-1,2,3-triazol-4-yl)-2'-deoxyuridines. / Andersen, N. K.; Chandak, N.; Brulikova, L. et al.
    In: Bioorganic & Medicinal Chemistry, Vol. 18, 2010, p. 4702-4710.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  114. Published
    Photomagnetic Switching of Heterometallic Complexes [M(dmf)(4)(H2O)(3)(mu-CN)Fe(CN)(5)]center dot H2O (M = Nd, La, Gd, Y) Analyzed by Single-Crystal X-ray Diffraction and Ab Initio Theory. / Svendsen, Helle; Overgaard, Jacob; Chevallier, M. A. et al.
    In: Chemistry: A European Journal, Vol. 16, 2010, p. 7215-7223.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

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