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Computational Spectroscopy

Publications

Complete list and citation metrics also available at ResearcherID
  1. "On the Evaluation of Spin-Orbit Coupling Matrix Elements in a Spin Adapted Basis."
    T.L.C. Jansen, S. Rettrup, C.R. Sarma, J.G. Snijders and P. Palmieri, Int. J. Quantum Chem., 73:23 (1999)
  2. "Experimental and theoretical investigation of the UV-spectrum and properties of the aminomethyl radical, CH2NH2."
    T.L.C. Jansen, I. Trabjerg, S. Rettrup, P. Pagsberg and A. Sillesen, Acta. Chem. Scan., 53:1054 (1999)
  3. "The 3rd- and 5th-order nonlinear Raman response of liquid CS2 calculated using a finite field nonequilibrium Molecular Dynamics method"
    T.L.C. Jansen, J.G. Snijders and K. Duppen, J. Chem. Phys., 113:307 (2000)
  4. "Interaction induced effects in the nonlinear Raman response of liquid CS2: a finite field nonequilibrium molecular dynamics approach."
    T.L.C. Jansen, J.G. Snijders and K. Duppen, J. Chem. Phys., 114:10915 (2001)
  5. "Collision Effects in the nonlinear Raman response of liquid CS2"
    T.L.C. Jansen, M. Swart, L. Jensen, P.Th. van Duijnen, J.G. Snijders, K. Duppen, J. Chem. Phys., 116:3277 (2002)
  6. "Many-body effects in the stimulated Raman response of binary mixtures: A comparison between Theory and Experiment."
    T.L.C. Jansen, A. Pugzlys, G.D. Crîngus, J.G. Snijders, Koos Duppen, J. Chem. Phys., 116:9383 (2002)
  7. "Liquid xenon as an ideal probe for many-body effects in impulsive Raman scattering"
    N.H. Boeijenga, A. Pugzlys, T.L.C. Jansen, J.G. Snijders and K. Duppen, J. Chem. Phys., 117:1181 (2002)
  8. "The finite field approach to the third- and fifth-order Raman response of liquids"
    T.L.C. Jansen, K. Duppen and J.G. Snijders
    in Nonlinear optical responses of molecules, solids and liquids: Methods and Applications edited by Manthos Papadopoulos (Research Signpost, Kerala, India, 2003)
  9. "Theoretical Simulation of Non-linear Spectroscopy in the Liquid Phase"
    T.L.C. Jansen, Dissertation Rijksuniversiteit Groningen, promotors prof. dr. J.G. Snijders and prof. dr. K. Duppen,
    defended on the 13th of september 2002 (Download 'stellingen'.)
  10. "Close collisions in the two-dimensional Raman response of liquid carbon disulfide"
    T.L.C. Jansen, K. Duppen and J.G. Snijders, Phys. Rev. B, 67:134206 (2003)
  11. "The effect of induced multipoles on the fifth-order Raman response"
    T.L.C. Jansen, K. Duppen and J.G. Snijders, Bull. Kor. Chem. Soc., 24:1102 (2003)
  12. "Semiclassical Mode Coupling Factorizations of Coherent Nonlinear Optical Response"
    T.L.C. Jansen and S. Mukamel, J. Chem. Phys. 119:7979 (2003)
  13. "Intramolecular and solvent contributions to amide-I vibrational echo lineshapes of a cyclic dipeptide"
    R. Venkatramani, T.L.C. Jansen, J. Dreyer and S. Mukamel, TRVS conference proceedings (2003)
  14. "Stochastic Liouville equation simulation for multidimensional vibrational lineshapes of trialanine"
    T.L.C. Jansen, W. Zhuang and S. Mukamel, J. Chem. Phys. 121:10577 (2004)
  15. "Structure, dynamics, and hydrogen bonding fluctuations of peptides probed by coherent infrared multidimensional spectra"
    S. Mukamel, D. Abramavicius, T. Hayashi, W. Zhuang, A.M. Moran, T.L.C. Jansen, and R. Venkatramani, Abstracts of papers of the American Chemical Society 227: U279-U279 229-PHYS Part 2 (2004)
  16. "Collective Solvent Coordinates for the Infrared Spectrum of HOD in D2O Based on an Ab Initio Electrostatic Map"
    T. Hayashi, T.L.C. Jansen, W. Zhuang, and S. Mukamel, J. Phys. Chem. A 109:64 (2005)
  17. "Stochastic Liouville equations for hydrogen-bonding fluctuations and their signatures in two-dimensional vibrational spectroscopy of water"
    T.L.C. Jansen, T. Hayashi, W. Zhuang and S. Mukamel, J. Chem. Phys. 123:114504 (2005)
  18. "A transferable electrostatic map for solvation effects on amide I vibrations and its application to linear and two-dimensional spectroscopy"
    T.L.C. Jansen and J. Knoester, J. Chem. Phys. 124:044502 (2006)
  19. "Fifth-order Raman spectroscopy: Liquid benzene"
    C.J. Milne, Y.L. Li, T.L.C. Jansen, L. Huang, and R.J.D. Miller, Ultrafast conference proceedings (2006)
  20. "Signature of Chemical Exchange in 2D vibrational spectroscopy; Simulations based on the Stochastic Liouville Equations"
    W. Zhuang, T. Hayashi, S. Mukamel, F. Sanda, and T.L.C. Jansen, Ultrafast conference proceedings (2006)
  21. "Modeling the amide I bands of small peptides"
    T.L.C. Jansen, A.G. Dijkstra, T.M. Watson, J.D. Hirst, and J. Knoester, J. Chem. Phys. 125:044312 (2006)
  22. "Fifth-order spectroscopy of liquid benzene: Experiment and Theory"
    C.J. Milne, Y.L. Li, T.L.C. Jansen, L. Huang, and R.J.D. Miller, J. Phys. Chem. B 110:19867 (2006)
  23. "Simulation of two-dimensional infrared spectra by numerical integration of the Schrödinger equation"
    T.L.C. Jansen and J. Knoester, ICCMSE conference proceedings, Editors: Simos, T. and Maroulis, G., vol 7B:1218 (Brill Academic Publishers, Leiden, The Netherlands, 2006) ISBN 90-04-15542-2
  24. "Non-adiabatic effects in the two-dimensional infrared spectra of peptides: Application to alanine dipeptide"
    T.L.C. Jansen and J. Knoester, J. Phys. Chem. B 110:22910 (2006)
  25. "Time correlation function and finite field approaches to the calculation of the fifth order Raman response in liquid xenon"
    R. DeVane, B. Space, T.L.C. Jansen, and T. Keyes, J. Chem. Phys. 125:234501 (2006)
  26. "Ultrafast Dynamics of Water Molecules Dissolved in Acetonitrile"
    D. Cringus, T.L.C. Jansen, M.S. Pchenichnikov, and D.A. Wiersma, J. Chem. Phys. 127:084507 (2007)
  27. "Vibrational Relaxation in Simulated Two-Dimensional Infrared Spectra of Two Amide Modes in Solution"
    A.G. Dijkstra, T.L.C. Jansen, E. Bloem, and J. Knoester, J. Chem. Phys. 127:194505 (2007)
  28. "Calculation of two-dimensional infrared spectra of ultrafast chemical exchange with numerical Langevin simulations"
    T.L.C. Jansen, and J. Knoester, J. Chem. Phys. 127:234502 (2007)
  29. "Two-dimensional infrared population transfer spectroscopy for enhancing structural markers of proteins"
    T.L.C. Jansen and J. Knoester, Biophys. J. 94:1818 (2008)
  30. "Localization and coherent exciton dynamics in the two-dimensional optical spectrum of molecular J-aggregates"
    A.G. Dijkstra, T.L.C. Jansen, and J. Knoester, J. Chem. Phys. 128:164511 (2008)
  31. "Motional narrowing in the time-average approximation for simulating two-dimensional non-linear infrared spectra"
    T.L.C. Jansen, and W.M. Ruszel, J. Chem. Phys. 128:214501 (2008)
  32. "Simulation of vibrational energy transfer in two-dimensional infrared spectroscopy of amide I and amide II modes in solution"
    E. Bloem, A.G. Dijkstra, T.L.C. Jansen, and J. Knoester, J. Chem. Phys. 129:055101 (2008)
  33. "Heterogeneous Dynamics of Coupled Vibration"
    D. Cringus, Thomas L.C. Jansen, and M.S. Pshenichnikov, Ultrafast conference proceedings XVI, page 472-474 (2008) Springer series in chemical physics. 92. Editors: P. Corkum, S. de Silvestri, K.A. Nelson, E. Riedle, and R.W. Schoenlein.
  34. "Dissimilar Dynamics of Coupled Water Vibrations"
    T.L.C. Jansen, D. Cringus, and M.S. Pshenichnikov, J. Phys. Chem. A 113:6260 (2009)
  35. "Waiting time dynamics in two-dimensional infrared spectroscopy"
    T.L.C. Jansen, and J. Knoester, Accounts of Chemical Research, 42:1405 (2009)
  36. "Hydrophobic Solvation: A 2D IR Spectroscopic Inquest"
    A. Bakulin, C. Liang, T.L.C. Jansen, D.A. Wiersma, H. Bakker, and M.S. Pshenichnikov, Accounts of Chemical Research, 42:1229 (2009)
  37. "Structural classification of the amide I sites of a beta-hairpin with isotope label 2DIR spectroscopy"
    S. Roy, T.L.C. Jansen, and J. Knoester, Phys. Chem. Chem. Phys. 12:9347-9357 (2010)
  38. "Two-dimensional spectroscopy of Extended Molecular Systems: Application to Energy Transport and Relaxation in an alpha-Helix"
    A.G. Dijkstra, T.L.C. Jansen, and J. Knoester, J. Phys. Chem. A, 114:7315-7320 (2010) Journal Cover
  39. "Two-dimensional infrared spectroscopy and ultrafast anisotropy decay of water"
    T.L.C. Jansen, B.M. Auer, M. Yang, and J.L. Skinner, J. Chem. Phys. 132:224503 (2010)
  40. "Melting of a beta-hairpin peptide using isotope-edited 2D IR spectroscopy and simulations"
    A.W. Smith, J. Lessing, Z. Ganim, C.S. Peng, A. Tokmakoff, S. Roy, T.L.C. Jansen and J. Knoester, J. Phys. Chem. B, Feature Article, 114:10913-10924 (2010)
  41. "Proton transfer in Biological Systems can be Probed by Two-dimensional Infrared Spectrosopy"
    C. Liang, T.L.C. Jansen, and J. Knoester, J. Chem. Phys. 134:044502 (2011)
  42. "Analysis of 2DIR spectra for systems with non-Gaussian dynamics"
    S. Roy, M. S. Pshenichnikov, and T.L.C. Jansen, J. Phys. Chem. B 115:5431-5440 (2011), In Honour of Shaul Mukamel, DOI: 10.1021/jp109742p
  43. "Modeling vibrational dynamics and (nonlinear) infrared spectra of amide I and II modes in peptides"
    A.G. Dijkstra, T.L.C. Jansen and J. Knoester, J. Phys. Chem. B 115:5392-5401 (2011), In Honour of Shaul Mukamel, DOI: 10.1021/jp109431a
  44. "On the nature of OH-stretching vibrations in hydrogen-bonded chains: Pump frequency dependent vibrational lifetime"
    S. Knop, T.L.C. Jansen, J. Lindner, and P. Vöhringer, Phys. Chem. Chem. Phys. 13:4641-4650 (2011) DOI: 10.1039/C0CP02143A
  45. "From atomistic modeling to exciton dynamics and two-dimensional spectra of the FMO light-harvesting complex"
    C. Olbrich, T.L.C. Jansen, J. Liebers, M. Aghtar, J. Strümpfer, K. Schulten, J. Knoester, and U. Kleinekathöfer, J. Phys. Chem. B 115:8609-8621 (2011) DOI: 10.1021/jp202619a
  46. "Proton Transport in a Binary Biomimetic Solution Revealed by Molecular Dynamics Simulation"
    C. Liang and T.L.C. Jansen, J. Chem. Phys. 135:114502 (2011)
  47. "Solvent and Conformation Dependence of Amide I Vibrations in Peptides and Proteins containing Proline"
    S. Roy, J. Lessing, G. Meisl, Z. Ganim, A. Tokmakoff, J. Knoester, and T.L.C. Jansen, J. Chem. Phys. 135:234507 (2011)
  48. "Ultrafast mapping of optical polarization states onto spin coherence of localized electrons in a semiconductor"
    S.Z. Denega, M. Sladkov, D. Reuter, A.D. Wieck, T.L.C. Jansen, and C.H. van der Wal, (arXiv:1103.4307)
  49. "Identifying residual structure in intrinsically disordered systems: A 2D IR spectroscopic study of GVGXPGVG peptide."
    J. Lessing, S. Roy, M. Reppert, M. Baer, D. Marx, T.L.C. Jansen, J. Knoester, and A. Tokmakoff, J. Am. Chem. Soc. 134:5032-5035 (2012)
  50. "An Efficient N3-scaling Propagation Scheme for Simulating Two-Dimensional Infrared and Visible Spectra"
    C. Liang and T.L.C. Jansen, J. Chem. Theory Comput. 8:1706-1713 (2012)
  51. "Modeling the amide I bands of small peptides (vol 125, 044312, 2006)"
    T.L.C. Jansen, A.G. Dijkstra, T.M. Watson, J.D. Hirst, and J. Knoester, J. Chem. Phys. 136:209901 (2012)
  52. "Proton Transport in a Membrane Protein Channel: Two-Dimensional Infrared Spectrum Modeling"
    C. Liang, J. Knoester, and T.L.C. Jansen, J. Phys. Chem. B 116:6336-6345 (2012)
  53. "Vibrational Spectra of a Mechanosensitive Channel"
    C. Liang, M. Louhivuori, S. J. Marrink, T. L. C. Jansen, and J. Knoester, J. Phys. Chem. Lett. 4:448-452 (2013)
  54. "Calculating Two-Dimensional Spectra with the Mixed Quantum-Classical Ehrenfest Method"
    C.P. van der Vegte, A.G. Dijkstra, J. Knoester, and T.L.C. Jansen, J. Phys. Chem. A 117:5970-5980 (2013), In Honour of John C. Wright, DOI: 10.1021/jp311668r
  55. "Surface hopping modeling of two-dimensional spectra"
    R. Tempelaar, C.P. van der Vegte, J. Knoester, and T.L.C. Jansen, J. Chem. Phys. 138:164106 (2013)
  56. "Simulation of Two-Dimensional Sum-Frequency Generation Response Functions: Application to Amide I in Proteins"
    C. Liang and T.L.C. Jansen, J. Phys. Chem. B 117:6937-6945 (2013) DOI:10.1021/jp403111j
  57. "Dynamics of water confined in reversed micelles: multidimensional vibrational spectroscopy"
    A.A. Bakulin, P.A. Pieniazek, J.L. Skinner, T.L.C. Jansen, and M.S. Pshenichnikov, J. Phys. Chem. B 117:15545-15558 (2013), In Honour of Mike D. Fayer DOI: 10.1021/jp405853j
  58. "Unveiling the vibronic effect on exciton coherences in a molecular dimer through two-dimensional spectroscopy"
    A. Halpin, P.J.M. Johnson, R. Tempelaar, R.S. Murphy, J. Knoester, T.L.C. Jansen, and R.J.D. Miller, Nature Chemistry 6:196-201 (2014) DOI: 10.1038/nchem.1834
  59. "OH-Stretching in Synthetic Hydrogen-Bonded Chains"
    C.P. van der Vegte, S. Knop, P. Vöhringer, J. Knoester and T.L.C. Jansen J. Phys. Chem. B 118:6256-6264 (2014) DOI: 10.1021/jp504267h
  60. "Linear Absorption and Two-Dimensional Infrared Spectra of N-Methylacetamide in Chloroform Revisited: Polarizability and Multipole Effects"
    T.L.C. Jansen J. Phys. Chem. B 118:8162-8169 (2014) In Honour of Jim L. Skinner, DOI: 10.1021/jp5012445
  61. "Mapping the Evolution of Spatial Exciton Coherence through Time-Resolved Fluorescence"
    R. Tempelaar, F. C. Spano, J. Knoester, and T.L.C. Jansen J. Phys. Chem. Lett. 5:1505-1510 (2014) Liveslides
  62. "Vibrational Beatings Conceal Evidence of Electronic Coherence in the FMO Light-Harvesting Complex"
    R. Tempelaar, T.L.C. Jansen, and J. Knoester J. Phys. Chem. B 118:12865-12872 (2014), DOI: 10.1021/jp510074q
  63. "Atomistic Modeling of Two-Dimensional Electronic Spectra and Excited-State Dynamics for a Light Harvesting 2 Complex"
    C. P. van der Vegte, J. D. Prajapati, U. Kleinekathoefer, J. Knoester, and T. L. C. Jansen J. Phys. Chem. B 119:1302-1313 (2015) DOI: 10.1021/jp509247p
  64. "Suppressing sampling noise in linear and two-dimensional spectral simulations"
    J.F. Kruiger, C.P. van der Vegte, and T.L.C. Jansen J. Chem. Phys.142:054201 (2015)
  65. "Exciton mobility control through sub-angstrom packing modifications in molecular crystals"
    N.J. Hestand, R. Tempelaar, J. Knoester, T.L.C. Jansen, F.C. Spano Phys. Rev. B 91:195315 (2015) DOI: 10.1103/PhysRevB.91.195315
  66. "Hydrogen Bond Dynamics in Bulk Alcohols"
    K. Shinokita, A. V. Cunha, T.L.C. Jansen, and M.S. Pshenichnikov J. Chem. Phys. 142:212450 (2015)
  67. "Application of Two-dimensional Infrared Spectroscopy to Benchmark models for the Amide I band of Proteins"
    A. Bondarenko and T.L.C. Jansen J. Chem. Phys. 142:212437 (2015) http://dx.doi.org/10.1063/1.4919716
  68. "Real-Time Observation of Organic Cation Reorientation in Methylammonium Lead Iodide Perovskites"
    A.A. Bakulin, O. Selig, H.J. Bakker, Y.L.A. Rezus, C. Muller, T. Glaser, R. Lovrincic, Z. Sun, Z. Chen. A. Walsh, J.M. Frost, and T.L.C. Jansen J. Phys. Chem. Lett. 6:3663 (2015) http://pubs.acs.org/doi/abs/10.1021/acs.jpclett.5b01555
  69. "Laser-Limited Signatures of Quantum Coherence"
    R. Tempelaar, A. Halpin, P. Johnson, J. Cai, R. S. Murphy, J. Knoester, R. J. D. Miller, and T. L. C. Jansen J. Chem. Phys. A 120:3042-3048 (2016) In Honour of Ronnie Kosloff DOI: 10.1021/acs.jpca.5b10312
  70. "Charge Recombination Suppressed by Destructive Quantum Interference in Heterojunction Materials"
    R. Tempelaar, L. J. A. Koster, R. W. A. Havenith, J. Knoester, and T. L. C. Jansen, J. Phys. Chem. Lett. 7:198-203 (2016)
  71. Correction to "Charge Recombination Suppressed by Destructive Quantum Interference in Heterojunction Materials"
    R. Tempelaar, L. J. A. Koster, R. W. A. Havenith, J. Knoester, and T. L. C. Jansen, J. Phys. Chem. Lett. 7:3659-3659 (2016)
  72. "Two-dimensional infrared spectroscopy of neat ice Ih"
    Liang Shi, J.L. Skinner, and T.L.C. Jansen, Phys. Chem. Chem. Phys. 18:3772-3779 (2016) DOI: 10.1039/c5cp07264f
  73. "Assessing spectral simulation protocols for the amide I band of proteins"
    A.V. Cunha, A.S. Bondarenko, and T.L.C. Jansen, J. Chem. Theory Comput. 12:3982-3992 (2016) DOI: 10.1021/acs.jctc.6b00420
  74. "Probing the Inter-State Coupling near a Conical Intersection by Optical Spectroscopy"
    M.H. Farag, T.L.C. Jansen, and J. Knoester, J. Phys. Chem. Lett. 7:3328-3334 (2016) Liveslides
  75. "Organic Cation Rotation and Immobilisation in Pure and Mixed Methylammonium Lead-Halide Perovskites"
    O. Selig, A. Sadhanala, C. Müller, R. Lovrincic, Z. Chen, Y.L.A. Rezus, J.M. Frost, T.L.C. Jansen, and A.A. Bakulin, J. Am. Chem. Soc. 139:4068-4074 (2017) DOI: 10.1021/jacs.6b12239
  76. "The Primary Photochemistry of Vision Occurs at the Molecular Speed Limit"
    P. Johnson, M.H. Farag, A. Halpin, T. Morizumi, V.I. Prokhorenko, J. Knoester, T.L.C. Jansen, O. Ernst, R.J.D. Miller, J. Phys. Chem. B 121:4040-4047 (2017) DOI: 10.1021/acs.jpcb.7b02329
  77. "Interplay Between Hydrogen Bonding and Vibrational Coupling in Liquid N-Methylacetamide"
    A.V. Cunha, E. Salamatova, E. Bloem, S. Roeters, S. Woutersen, M.S. Pshenichnikov, and T.L.C. Jansen, J. Phys. Chem. Lett. 8:2438-2444 (2017) DOI: 10.1021/acs.jpclett.7b00731
  78. "Exciton-Exciton Annihilation Is Coherently Suppressed in H-Aggregates, but Not in J-Aggregates"
    R. Tempelaar, T.L.C. Jansen, J. Knoester, J. Phys. Chem. Lett. 8:6113-6117 (2017) DOI: 10.1021/acs.jpclett.7b02745
  79. "Spectral lineshapes in linear absorption and two-dimensional spectroscopy with skewed frequency distributions"
    M.H. Farag, B.J. Hoenders, J. Knoester, and T.L.C. Jansen, J. Chem. Phys. 146:234201 (2017)
  80. "Steering Self-Assembly of Amphiphilic Molecular Nanostructures via Halogen Exchange"
    B. Kriete, A. S. Bondarenko, V. Jumde, L. Franken, A. Minnaard, T.L.C. Jansen, J. Knoester, and M. S. Pshenichnikov, J. Phys. Chem. Lett. 8:2895-2901 (2017) DOI: 10.1021/acs.jpclett.7b00967
  81. "Structural and Spectroscopic Properties of Assemblies of Self-Replicating Peptide Macrocycles"
    P. Frederix, J. Idé, Y. Altay, G. Schaeffer, M. Surin, D. Beljonne, A.S. Bondarenko, T.L.C. Jansen, S. Otto, S.-J. Marrink, ACS Nano 11:7858-7868 (2017) DOI: 10.1021/acsnano.7b02211
  82. "Hydrogen bond and lifetime dynamics in diluted alcohols"
    E. Salamatova, A. V. Cunha, K. Shinokita, T. L. C. Jansen, and Maxim S. Pshenichnikov, Phys. Chem. Chem. Phys., 19:27960-27967 (2017) DOI: 10.1039/C7CP03222F
  83. "2D IR Spectroscopy of High-Pressure Phases of Ice"
    H. Tran, A. V. Cunha, J. Shepard, A. Shalit, P. Hamm, T. L. C. Jansen, and C. Salzmann, J. Chem. Phys., 147:144501 (2017)
  84. "Simple Quantum Dynamics With Thermalization"
    T.L.C. Jansen, J. Phys. Chem. A, 122:172-183 (2018)
  85. "Hydrophobic Collapse in N-methylacetamide-Water Mixtures"
    E. Salamatova, A. V. Cunha, E. Bloem, S. J. Roeters, S. Woutersen, T. L. C. Jansen, M. S. Pshenichnikov, J. Phys. Chem. A, 122:2468-2478 (2018)
  86. "Identification and Characterization of Diverse Coherences in the Fenna-Matthews-Olson Complex"
    E. Thyrhaug, R. Tempelaar, M. Alcocer, K. Zidek, D. Bina, J. Knoester, T. L. C. Jansen and D. Zigmantas, Nature Chem. 10:780-786 (2018) doi:10.1038/s41557-018-0060-5
  87. "The Origin of Absorptive Features in the Two-Dimensional Electronic Spectra of Rhodopsin"
    M. H. Farag, T. L. C. Jansen and J. Knoester, Chem. Phys. Phys. Chem. 20:12746-12754 (2018)
  88. "Soft X-ray spectroscopy as a probe for gas-phase protein structure: electron impact ionization from within"
    S. Bari, D. Egorov, T. L. C. Jansen, R. Boll, R. Hoekstra, S. Techert, V. Zamudio-Bayer, C. Bülow, R. Lindblad, G. Leistner, A. Ławicki, K. Hirsch, P. S. Miedema, B. von Issendorf, T. Lau, and T. Schlathölter, Chem. Eur. J. 24:7631-7636 (2018)
  89. "Structural Variations in Chlorosomes From Wild-Type and a bchQR Mutant of Chlorobaculum tepidum Revealed by Single-Molecule Spectroscopy"
    Lisa M. Günther, Alexander Löhner, Carolin Reiher, Tenzin Kunsel, Thomas L. C. Jansen, Marcus Tank, Donald A. Bryant, Jasper Knoester, and Jürgen Köhler. J. Phys. Chem. B 122:6712-6723 (2018)
  90. "Direct knock-on of desolvated ions governs strict ion selectivity in K+ channels"
    Wojciech Kopec, David A. Köpfer, Owen N. Vickery, Anna S. Bondarenko, Thomas L. C. Jansen, Bert L. de Groot and Ulrich Zachariae, Nature Chem. 10:813-820 (2018)
  91. "Temperature-Induced Collapse of Elastin-like Peptides Studied by 2DIR Spectroscopy"
    Oleg Selig, Ana V. Cunha, Mark B. van Eldijk, Jan C. M. van Hest, Thomas L. C. Jansen, Huib J. Bakker, and Yves L. A. Rezus, J. Phys. Chem. B 122:8243–8254 (2018)
  92. "Rotational Cation Dynamics in Metal-Halide Perovskites: Effect on Phonons and Material Properties"
    Nathaniel P. Gallop, Oleg Selig, Giulia Giubertoni, Huib J. Bakker, Yves L. A. Rezus, Jarvist M. Frost, Thomas L. C. Jansen, Robert Lovrincic, and Artem A. Bakulin, J. Phys. Chem. Lett. 9:5987-5997 (2018) DOI: 10.1021/acs.jpclett.8b02227
  93. "Spatially-resolved fluorescence-detected two-dimensional electronic spectroscopy probes varying excitonic structure in photosynthetic bacteria"
    Vivek Tiwari, Yassel Acosta Matutes, Alastair T. Gardiner, Thomas L. C. Jansen, Richard J. Cogdell, and Jennifer P. Ogilvie, Nature Commun. 9:4219 (2018)
  94. "Simulating Fluorescence Detected Two-Dimensional Electronic Spectroscopy of Multi-Chromophoric Systems"
    Tenzin Kunsel, Alastair T. Gardiner, Richard J. Cogdell, Vivek Tiwari, Yassel Acosta Matutes, Jennifer P. Ogilvie, and Thomas L. C. Jansen, J. Phys. Chem. B 123:394-406 (2019) DOI: 10.1021/acs.jpcb.8b10176
  95. "Theory of Coherent Two-dimensional Vibrational Spectroscopy"
    T.L.C. Jansen, S. Saito, J. Jeon, and M. Cho, J. Chem. Phys. Perspective 150:100901 (2019) DOI: 10.1063/1.5083966
  96. "Tunable Ferroelectricity in Ruddlesden-Popper Halide Perovskites"
    Q. Zhang, A. Solanki, K. Parida, D. Giovanni, M. Li, T. L. C. Jansen, M. S. Pshenichnikov, T. C. Sum, ACS Applied Materials & Interfaces 11:13523-13532 (2019) DOI: 10.1021/acsami.8b21579
  97. "Spectral and Structural Variations of Biomimetic Light-Harvesting Nanotubes"
    A Löhner, T Kunsel, MIS Röhr, TLC Jansen, S Sengupta, F Würthner, J Knoester, J Köhler, J. Phys. Chem. Lett. 10:2715-2724 (2019)
  98. "Interplay between Structural Hierarchy and Exciton Diffusion in Artificial Light Harvesting"
    Björn Kriete, Julian Lüttig, Tenzin Kunsel, Pavel Malý, Thomas LC Jansen, Jasper Knoester, Tobias Brixner, Maxim S Pshenichnikov, Nature Commun. 10:4615 (2019)
  99. "Unraveling Molecular Packing in Two-Dimensional Excitonic Systems"
    T.L.C. Jansen, Chem. 5:3010-3012 (2019)
  100. "Comparison of methods to study excitation energy transfer in molecular multichromophoric systems"
    Anna S. Bondarenko, Jasper Knoester, Thomas L.C. Jansen, Chem. Phys. 529:110478 (2020)
  101. "Quantum Biology Revisited"
    J. Cao, R. J. Cogdell, D. F. Coker, H.-G. Duan, J. Hauer, U. Kleinekathöfer, T. L. C. Jansen, T. Mančal, R. J. D. Miller, J. P. Ogilvie, V. I. Prokhorenko, T. Renger, H.-S. Tan, R. Tempelaar, M. Thorwart, E. Thyrhaug, S. Westenhoff and D. Zigmantas, Science Advances 6:eaaz4888 (2020) doi: 10.1126/sciadv.aaz4888
  102. "Vibrational Frequency Map, Vibrational Spectroscopy, and Intermolecular Interaction"
    C. Baiz, B. Błasiak, J. Bredenbeck, M. Cho, J.H. Choi, S. Corcelli, A. G. Dijkstra, C.J. Feng, S. Garrett-Roe, N.-H. Ge, M. Hanson-Heine, J. Hirst, T. L. C. Jansen, K. Kwac, K. J. Kubarych, C. Londergan, H. Maekawa, M. Reppert, S. Saito, S. Roy, J. L. Skinner, G. Stock, J. Straub, M. Thielges, K. Tominaga, A. Tokmakoff, H. Torii, L. Wang, L. Webb, M. T. Zanni, Chem. Rev. 120: 7152–7218 (2020) doi: 10.1021/acs.chemrev.9b00813
  103. "Exciton localization in tubular molecular aggregates: size effects and optical response"
    A. S. Bondarenko, T. L. C. Jansen, J. Knoester, J. Phys. Chem. 152:194392 (2020)
  104. "Observation of Ultrafast Coherence Transfer and Degenerate States with Polarization Controlled Two-Dimensional Electronic Spectroscopy"
    A. S. Sardjan, F. P. Westerman, J. P. Ogilvie, and T. L. C. Jansen, J. Phys. Chem. B, Tanimura Feestschrift 124:9420-9427 (2020)
  105. "Multiscale Modeling of Molecular Structure and Optical Properties of Complex Supramolecular Aggregates"
    A. S. Bondarenko, I. Patmanidis, R. Alessandri P. C. T. Souza, T. L.C. Jansen, A. H. de Vries, S.-J. Marrink, and J. Knoester. Chem. Sci. 11:11514 (2020) DOI: 10.1039/D0SC03110K
  106. "Unravelling Intra-Aggregate Structural Disorder using Single-Molecule Spectroscopy"
    Tenzin Kunsel, Alexander Löhner, Jack Mayo, Jürgen Köhler, Thomas L.C. Jansen, and Jasper Knoester, J. Chem. Phys. 153:134304 (2020)
  107. "Molecular versus excitonic disorder in individual artificial light-harvesting systems"
    B. Kriete, Björn, A. Bondarenko, R. Alessandri, I. Patmanidis, V. Krasnikov, T.LC. Jansen, S.-J. Marrink, J. Knoester, M. S. Pshenichnikov, J. Am. Chem. Soc. 142:18073-18085 (2020)
  108. "Excited State Dynamics and Exciton Diffusion in Triphenylamine/Dicyanovinyl Push-Pull Small Molecule for Organic Optoelectronics
    B. A. L. Raul, Y. N. Luponosov, W. Yang, N. M. Surin, O. Douhéret, J. Min, T. L. C. Jansen, S. A. Ponomarenko; M. S. Pshenichnikov Scientific Reports 10:21198 (2020)
  109. "An Exciton Dynamics Model of Bryopsis corticulans Light-Harvesting Complex II"
    H. L. Nguyen, T. N. Do, P. Akhtar, T. L. C. Jansen, J. Knoester, W. Wang, J.-R. Shen, P. H. Lambrev, H.-S. Tan, J. Phys. Chem. B 125:1134-1143 (2021)
  110. "Lessons from combined experimental and theoretical FTIR and 2D-IR spectroelectrochemistry of the amide I region of cytochrome c"
    Y. El Khoury, G. Le Breton, A. V. Cunha, T. L. C. Jansen, L. van Wilderen, and J. Bredenbeck J. Chem. Phys. 154:124201 (2021)
  111. "Quantum-Classical Simulation of Molecular Motors Driven Only by Light"
    A. Majumdar and T. L. C. Jansen, J. Phys. Chem. Lett. 12:5512-5518 (2021)
  112. "Probing Size Variations of Molecular Aggregates inside Chlorosomes using Single-Particle Spectroscopy"
    T. Kunsel, L. Günther, J. Köhler, T. L. C. Jansen, and J. Knoester, J. Chem. Phys. 155:124310 (2021)
  113. "Computational Spectroscopy of Complex Systems"
    T.L.C. Jansen, J. Chem. Phys. 155:170901 (2021)
  114. "Scaling Relations of Exciton Diffusion in Linear Aggregates with Static and Dynamic Disorder"
    T. Kunsel, T.L.C. Jansen, and J. Knoester, J. Chem. Phys. 155:134305 (2021)
  115. "Distinguishing islet amyloid polypeptide fibril structures with infrared isotope-label spectroscopy"
    V. Saxena, R. Steendam, and T.L.C. Jansen, J. Chem. Phys. 156:055101 (2022) TRVS special issue
  116. "AIM: A Mapping Program for Infrared Spectroscopy of Proteins"
    K. E. van Adrichem and T. L. C. Jansen, J. Chem. Theory Comput. 18:3089-3098 (2022)
  117. "The Ultrafast Excitation Energy Transfer Dynamics in the LHCII-CP29-CP24 Subdomain of Plant Photosystem II"
    T. N. Do, H. L. Nguyen, P. Akhtar, K. Zhong, T. L C. Jansen, J. Knoester, S. Caffarri, P. Lambrev, and H.-S. Tan, J. Phys. Chem. Lett. 13:4263-4271 (2022)
  118. "Optical Signatures of the Coupling between Excitons and Charge Transfer States in Linear Molecular Aggregates"
    M. Manrho, T. L. C. Jansen, J. Knoester, J. Chem. Phys. 156:224112 (2022)
  119. "The Effect of Caesium Alloying on Ultrafast Structural Dynamics in Hybrid Organic-Inorganic Halide Perovskites"
    Nathaniel P. Gallop, Junzhi Ye, Greg Greetham, Thomas L.C. Jansen, Linjie Dai, Szymon Zelewski, Rakesh Arul, Jeremy J. Baumberg, Robert Hoye, Artem A. Bakulin, J. Mater. Chem. A 10:22408-22418 (2022)
  120. "Structural Disorder as the Origin of Optical Properties and Spec-tral Dynamics in Squaraine Nano–Aggregates"
    R. Bernhardt, M. Manrho, J. Zablocki, L. Rieland, A. Luetzen, M. Schiek, K. Meerholz, J. Zhu, T. L. C. Jansen, J. Knoester, P. van Loosdrecht, J. Am. Chem. Soc. 144:19372-19381 (2022)
  121. "Manifestation of hydrogen bonding and exciton delocalization on the absorption and two-dimensional electronic spectra of chlorosomes"
    Vesna Erić, Xinmeng Li, Lolita Dsouza, Sean K. Frehan, Annemarie Huijser, Alfred R. Holzwarth, Francesco Buda, G. J. Agur Sevink, Huub J. M. de Groot, and Thomas L. C. Jansen, J. Phys. Chem. B 127:1097-1109 (2023)
  122. "An Efficient Time-Domain Implementation of the Multi-Chromophoric Förster Resonant Energy Transfer Method"
    Kai Zhong, Hoang Long Nguyen, Thanh Nhut Do, Howe-Siang Tan, Jasper Knoester, and Thomas Jansen, J. Chem. Phys. 158:064103 (2023)
  123. "Simulation of two-dimensional infrared Raman spectroscopy with application to proteins"
    Carleen van Hengel, Kim van Adrichem, and Thomas Jansen, J. Chem. Phys. 158:064106 (2023)
  124. "Modelling the Effect of Disorder in the Two-Dimensional Electronic Spectroscopy of poly-3-hexyltiophene in an Organic Photovoltaic Blend: a Combined Quantum/Classical Approach"
    E. Palacino-González, T. L. C. Jansen, J. Phys. Chem. C 127:6793-6801 (2023)
  125. "Ultrafast Anisotropy Decay as a Signature of Structure and Energy Transfer Pathways in Supramolecular Aggregates"
    Vesna Erić, Jorge Castro, Xinmeng Li, Lolita Dsouza, Sean K. Frehan, Annemarie Huijser, Alfred R. Holzwarth, Francesco Buda, G. J. Agur Sevink, Huub J. M. de Groot, and Thomas L. C. Jansen, J. Phys. Chem. B 127:7487-7496 (2023)
  126. "Photon Energy Dependent Ultrafast Exciton Transfer in Chlorosomes of Chlorobium Tepidum and the Role of Supramolecular Dynamics"
    S. Frehan, L. Dsouza, X. Li, V. Erić, T. L. C. Jansen, G. Mul, A. Holzwarth, F. Buda, G.J.A. Sevink, H. de Groot, A. Huijser J. Phys. Chem. B 127:7581-7589 (2023)
  127. "Watching Molecular Nanotubes Self-Assemble in Real Time"
    M. Manrho, S. R. Krishnaswamy, B. Kriete, I. Patmanidis, A. H. de Vries, S.-J. Marrink, T. L. C. Jansen, J. Knoester, M. S. Pshenichnikov J. Am. Chem. Soc. 145:224940-22593 (2023)
  128. "Controlling the Nonadiabatic Dynamics of the Charge-Transfer Process with Chirped-Pulses: Insights from a Double-Pump Time-Resolved Fluorescence Spectroscopy Scheme."
    J. H. Soh, T. L. C. Jansen, and E. Palacino-González J. Chem. Phys. 160:024110 (2024)
  129. "Cyclopentene ring effects in cyanine dyes: a handle to fine-tune photophysical properties"
    Natália P. Neme, Thomas L. C. Jansen, and Remco W. A. Havenith Phys. Chem. Chem. Phys. 26:6235-6241 (2024)
  130. "Inter-subunit Energy Transfer Processes in a Minimal Plant Photosystem II Supercomplex"
    H. L. Nguyen, T. N. Do, K. Zhong, A. Parveen, T. L. C. Jansen, J. Knoester, S. Caffarri, P. Lambrev, H.-S. Tan Science Advances 10:eadh0911 (2024)
  131. "Electric Field Susceptibility of Chlorophyll c Leads to Unexpected Excitation Dynamics in the Major Light-Harvesting Complex of Diatoms"
    S. Maity, V. Daskalakis, T. L. C. Jansen, U. Kleinekathöfer J. Phys. Chem. Lett. 15:2499-2510 (2024)
  132. "Spatial Correlations Drive Long-Range Transport and Trapping of Excitons in Single H-Aggregates: Experiment and Theory"
    A. Carta, B. Wittmann, K. Kreger, H.-W. Schmidt, T. L. C. Jansen, and R. M. Hildner J. Phys. Chem. Lett. 15:2697-2707 (2024)
  133. "Observation of Dark States in Two-Dimensional Electronic Spectra of Chlorosomes"
    Vesna Erić,́ Xinmeng Li, Lolita Dsouza, Annemarie Huijser, Alfred R. Holzwarth, Francesco Buda, G. J. Agur Sevink, Huub J. M. de Groot, and Thomas L. C. Jansen, J. Phys. Chem. B 128:3575-3584 (2024)
  134. "An integrated approach towards extracting structural characteristics of chlorosomes from a bchQ mutant of Chlorobaculum tepidum"
    Lolita Dsouza, Xinmeng Li, Vesna Erić, Annemarie Huijser, T. L. C. Jansen, Alfred R. Holzwarth, Francesco Buda, Donald A. Bryant, Salima Bahri, Karthick Babu Sai Sankar Gupta, G. J. Agur Sevink, and H. J. M. de Groot Phys. Chem. Chem. Phys. 26:15856-15867 (2024) DOI: 10.1039/d4cp00221k
  135. "Secondary Structure of Diatom Silaffin Peptide R5 Determined by Two-Dimensional Infrared Spectroscopy"
    A. Thomassen, T. L. C. Jansen, and T. Weidner Phys. Chem. Chem. Phys. (2024)
  136. "Celebrating 25 years of 2D IR spectroscopy"
    C. Baiz, J. Bredenbeck, M. Cho, T.L.C. Jansen, A. Krummel, S. Roberts J. Chem. Phys. 160:010401 (2024)
  137. "Coarse-Grained Approach to Simulate Signatures of Excitation Energy Transfer in Two-Dimensional Electronic Spectroscopy of Large Molecular Systems"
    K. Zhong, H. L. Nguyen, T. Nhut Do, H.-S. Tan, J. Knoester, T.L.C. Jansen J. Chem. Theory Comput. 20:6111-6124 (2024)
  138. "Electronically excited states in cylindrical molecular aggregates: Exciton delocalization, dynamics, and optical response"
    T.L.C. Jansen, L.M. Günther, J. Knoester, J. Köhler Chem. Phys. Rev. 5:041305 (2024)
  139. "Application of the Time-Domain Multi-Chromophoric Fluorescence Resonant Energy Transfer Method in the NISE Programme"
    K. Zhong, V. Erić, H.L. Nguyen, K.E. van Adrichem, G.A.H. ten Hoven, M. Manrho, J. Knoester, T.L.C. Jansen J. Chem. Theory Comput. (accepted)