Publications

Dsouza, L., Li, X., Erić, V., Huijser, A., Jansen, T. L. C., Holzwarth, A. R., Buda, F., Bryant, D. A., Bahri, S., Gupta, K. B. S. S., Sevink, G. J. A., & de Groot, H. J. M. (2024). An integrated approach towards extracting structural characteristics of chlorosomes from a bchQ mutant of Chlorobaculum tepidum. Physical Chemistry Chemical Physics, 26(22), 15856-15867. https://doi.org/10.1039/d4cp00221k

Baiz, C., Bredenbeck, J., Cho, M., Jansen, T., Krummel, A., & Roberts, S. (2024). Celebrating 25 years of 2D IR spectroscopy. Journal of Chemical Physics, 160(1), Article 010401. https://doi.org/10.1063/5.0190809

Zhong, K., Nguyen, H. L., Do, T. N., Tan, H. S., Knoester, J., & Jansen, T. L. C. (2024). Coarse-Grained Approach to Simulate Signatures of Excitation Energy Transfer in Two-Dimensional Electronic Spectroscopy of Large Molecular Systems. Journal of Chemical Theory and Computation, 20(14), 6111-6124. https://doi.org/10.1021/acs.jctc.4c00413

Soh, J. H., Jansen, T. L. C., & Palacino-González, E. (2024). Controlling the nonadiabatic dynamics of the charge-transfer process with chirped pulses: Insights from a double-pump time-resolved fluorescence spectroscopy scheme. Journal of Chemical Physics, 160(2), Article 024110. https://doi.org/10.1063/5.0177073

Paz Neme, N., Jansen, T. L. C., & Havenith, R. (2024). Cyclopentene ring effects in cyanine dyes: A handle to fine-tune photophysical properties. PCCP : Physical Chemistry Chemical Physics, 26(7), Article 6235. https://doi.org/10.1039/d3cp05219b

Maity, S., Daskalakis, V., Jansen, T. L. C., & Kleinekathöfer, U. (2024). Electric Field Susceptibility of Chlorophyll c Leads to Unexpected Excitation Dynamics in the Major Light-Harvesting Complex of Diatoms. JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 15(9), 2499-2510. https://doi.org/10.1021/acs.jpclett.3c03241

Nguyen, H. L., Do, T. N., Zhong, K., Akhtar, P., Jansen, T. L. C., Knoester, J., Caffarri, S., Lambrev, P., & Tan, H. S. (2024). Inter-subunit energy transfer processes in a minimal plant photosystem II supercomplex. Science Advances, 10(8), Article eadh0911. https://doi.org/10.1126/sciadv.adh0911

Erić, V., Li, X., Dsouza, L., Huijser, A., Holzwarth, A. R., Buda, F., Sevink, G. J. A., de Groot, H. J. M., & Jansen, T. L. C. (2024). Observation of Dark States in Two-Dimensional Electronic Spectra of Chlorosomes. Journal of Physical Chemistry B, 128(15), 3575–3584. https://doi.org/10.1021/acs.jpcb.4c00067

Carta, A., Wittmann, B., Kreger, K., Schmidt, H.-W., Jansen, T. L. C., & Hildner, R. (2024). Spatial Correlations Drive Long-Range Transport and Trapping of Excitons in Single H‑Aggregates: Experiment and Theory. The Journal of Physical Chemistry Letters, 15, 2697-2707. https://doi.org/10.1021/acs.jpclett.3c03586

Thomassen, A. B., Jansen, T. L. C., & Weidner, T. (2024). The secondary structure of diatom silaffin peptide R5 determined by two-dimensional infrared spectroscopy. Physical Chemistry Chemical Physics, 2024(26), 18538-18546. https://doi.org/10.1039/d4cp00970c

Zhong, K., Nguyen, H. L., Do, T. N., Tan, H. S., Knoester, J., & Jansen, T. L. C. (2023). An efficient time-domain implementation of the multichromophoric Förster resonant energy transfer method. Journal of Chemical Physics, 158(6), 1710–1722. https://doi.org/10.1063/5.0136652

Erić, V., Li, X., Dsouza, L., Frehan, S. K., Huijser, A., Holzwarth, A. R., Buda, F., Sevink, G. J. A., de Groot, H. J. M., & Jansen, T. L. C. (2023). Manifestation of Hydrogen Bonding and Exciton Delocalization on the Absorption and Two-Dimensional Electronic Spectra of Chlorosomes. Journal of Physical Chemistry B, 127(5), 1097-1109. https://doi.org/10.1021/acs.jpcb.2c07143

Palacino-González, E., & Jansen, T. L. C. (2023). Modeling the Effect of Disorder in the Two-Dimensional Electronic Spectroscopy of Poly-3-hexyltiophene in an Organic Photovoltaic Blend: A Combined Quantum/Classical Approach. Journal of Physical Chemistry C, 127(14), 6793-6801. https://doi.org/10.1021/acs.jpcc.3c01080

Frehan, S. K., Dsouza, L., Li, X., Eríc, V., Jansen, T. L. C., Mul, G., Holzwarth, A. R., Buda, F., Sevink, G. J. A., de Groot, H. J. M., & Huijser, A. (2023). Photon Energy-Dependent Ultrafast Exciton Transfer in Chlorosomes of Chlorobium tepidum and the Role of Supramolecular Dynamics. Journal of Physical Chemistry B, 127(35), 7581-7589. https://doi.org/10.1021/acs.jpcb.3c05282

Van Hengel, C. D. N., Van Adrichem, K. E., & Jansen, T. L. C. (2023). Simulation of two-dimensional infrared Raman spectroscopy with application to proteins. Journal of Chemical Physics, 158(6), Article 064106. https://doi.org/10.1063/5.0138958

Erić, V., Castro, J. L., Li, X., Dsouza, L., Frehan, S. K., Huijser, A., Holzwarth, A. R., Buda, F., Sevink, G. J. A., de Groot, H. J. M., & Jansen, T. L. C. (2023). Ultrafast Anisotropy Decay Reveals Structure and Energy Transfer in Supramolecular Aggregates. Journal of Physical Chemistry B, 127(34), 7487-7496. https://doi.org/10.1021/acs.jpcb.3c04719

Manrho, M., Krishnaswamy, S. R., Kriete, B., Patmanidis, I., de Vries, A. H., Marrink, S. J., Jansen, T. L. C., Knoester, J., & Pshenichnikov, M. S. (2023). Watching Molecular Nanotubes Self-Assemble in Real Time. Journal of the American Chemical Society, 145(41), 22494–22503. https://doi.org/10.1021/jacs.3c07103

Adrichem, K. E. V., & Jansen, T. L. C. (2022). AIM: A Mapping Program for Infrared Spectroscopy of Proteins. Journal of Chemical Theory and Computation, 18(5), 3089–3098. https://doi.org/10.1021/acs.jctc.2c00113

Saxena, V., Steendam, R., & Jansen, T. L. C. (2022). Distinguishing islet amyloid polypeptide fibril structures with infrared isotope-label spectroscopy. The Journal of Chemical Physics, 156(5), Article 055101. https://doi.org/10.1063/5.0082322

Manrho, M., Jansen, T. L. C., & Knoester, J. (2022). Optical signatures of the coupling between excitons and charge transfer states in linear molecular aggregates. Journal of Chemical Physics, 156(22), Article 224112. https://doi.org/10.1063/5.0095470

Bernhardt, R., Manrho, M., Zablocki, J., Rieland, L., Lützen, A., Schiek, M., Meerholz, K., Zhu, J., Jansen, T. L. C., Knoester, J., & Van Loosdrecht, P. H. M. (2022). Structural Disorder as the Origin of Optical Properties and Spectral Dynamics in Squaraine Nano-Aggregates. Journal of the American Chemical Society, 144(42), 19372–19381. https://doi.org/10.1021/jacs.2c07064

Gallop, N. P., Ye, J., Greetham, G. M., Jansen, T. L. C., Dai, L., Zelewski, S. J., Arul, R., Baumberg, J. J., Hoye, R. L. Z., & Bakulin, A. A. (2022). The effect of caesium alloying on the ultrafast structural dynamics of hybrid organic-inorganic halide perovskites. Journal of Materials Chemistry A, 10(42), 22408-22418. https://doi.org/10.1039/d2ta05207e

Nhut, T., Nguyen, H. L., Akhtar, P., Zhong, K., Jansen, T. L. C., Knoester, J., Caffarri, S., Lambrev, P. H., & Tan, H.-S. (2022). Ultrafast Excitation Energy Transfer Dynamics in the LHCII–CP29–CP24 Subdomain of Plant Photosystem II. The Journal of Physical Chemistry Letters, 13(19), 4263–4271. https://doi.org/10.1021/acs.jpclett.2c00194

Nguyen, H. L., Do, T. N., Akhtar, P., Jansen, T. L. C., Knoester, J., Wang, W., Shen, J.-R., Lambrev, P. H., & Tan, H.-S. (2021). An Exciton Dynamics Model of Bryopsis corticulans Light-Harvesting Complex II. Journal of Physical Chemistry B, 125(4), 1134-1143. https://doi.org/10.1021/acs.jpcb.0c10634

Jansen, T. L. C. (2021). Computational spectroscopy of complex systems. Journal of Chemical Physics, 155(17), Article 170901. https://doi.org/10.1063/5.0064092

El Khoury, Y., Le Breton, G., Cunha, A. V., Jansen, T. L. C., van Wilderen, L. J. G. W., & Bredenbeck, J. (2021). Lessons from combined experimental and theoretical examination of the FTIR and 2D-IR spectroelectrochemistry of the amide I region of cytochrome c. Journal of Chemical Physics, 154(12), Article 124201. https://doi.org/10.1063/5.0039969

Kunsel, T., Günther, L. M., Köhler, J., Jansen, T. L. C., & Knoester, J. (2021). Probing size variations of molecular aggregates inside chlorosomes using single-object spectroscopy. Journal of Chemical Physics, 155(12), Article 124310. https://doi.org/10.1063/5.0061529

Majumdar, A., & Jansen, T. L. C. (2021). Quantum-Classical Simulation of Molecular Motors Driven Only by Light. JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 12(23), 5512-5518. https://doi.org/10.1021/acs.jpclett.1c00951

Kunsel, T., Jansen, T. L. C., & Knoester, J. (2021). Scaling relations of exciton diffusion in linear aggregates with static and dynamic disorder. Journal of Chemical Physics, 155(13), Article 134305. https://doi.org/10.1063/5.0065206

Bondarenko, A. S., Knoester, J., & Jansen, T. L. C. (2020). Comparison of methods to study excitation energy transfer in molecular multichromophoric systems. Chemical Physics, 529, Article 110478. https://doi.org/10.1016/j.chemphys.2019.110478

Raul, B. A. L., Luponosov, Y. N., Yang, W., Surin, N. M., Douheret, O., Min, J., Jansen, T. L. C., Ponomarenko, S. A., & Pshenichnikov, M. S. (2020). Excited state dynamics and exciton diffusion in triphenylamine/dicyanovinyl push-pull small molecule for organic optoelectronics. Scientific Reports, 10(1), Article 21198. https://doi.org/10.1038/s41598-020-78197-2

Bondarenko, A. S., Jansen, T. L. C., & Knoester, J. (2020). Exciton localization in tubular molecular aggregates: Size effects and optical response. Journal of Chemical Physics, 152(19), Article 194302. https://doi.org/10.1063/5.0008688

Kriete, B., Bondarenko, A. S., Alessandri, R., Patmanidis, I., Krasnikov, V. V., Jansen, T. L. C., Marrink, S. J., Knoester, J., & Pshenichnikov, M. S. (2020). Molecular versus excitonic disorder in individual artificial light-harvesting systems. Journal of the American Chemical Society, 142(42), 18073-18085. Article jacs.0c07392. https://doi.org/10.1021/jacs.0c07392

Bondarenko, A. S., Patmanidis, I., Alessandri, R., Souza, P. C. T., Jansen, T. L. C., de Vries, A. H., Marrink, S. J., & Knoester, J. (2020). Multiscale modeling of molecular structure and optical properties of complex supramolecular aggregates. Chemical Science, 11(42), 11514-11524. https://doi.org/10.1039/d0sc03110k

Sardjan, A. S., Westerman, F. P., Ogilvie, J. P., & Jansen, T. L. C. (2020). Observation of Ultrafast Coherence Transfer and Degenerate States with Polarization-Controlled Two-Dimensional Electronic Spectroscopy. Journal of Physical Chemistry B, 124(42), 9420-9427. https://doi.org/10.1021/acs.jpcb.0c08126

Cao, J., Cogdell, R. J., Coker, D. F., Duan, H.-G., Hauer, J., Kleinekathoefer, U., Jansen, T. L. C., Mancal, T., Miller, R. J. D., Ogilvie, J. P., Prokhorenko, V., Renger, T., Tan, H.-S., Tempelaar, R., Thorwart, M., Thyrhaug, E., Westenhoff, S., & Zigmantas, D. (2020). Quantum biology revisited. Science Advances, 6(14), Article eaaz4888. https://doi.org/10.1126/sciadv.aaz4888

Kunsel, T., Loehner, A., Mayo, J. J., Koehler, J., Jansen, T. L. C., & Knoester, J. (2020). Unraveling intra-aggregate structural disorder using single-molecule spectroscopy. Journal of Chemical Physics, 153(13), Article 134304. https://doi.org/10.1063/5.0023551

Baiz, C. R., Blasiak, B., Bredenbeck, J., Cho, M., Choi, J.-H., Corcelli, S. A., Dijkstra, A. G., Feng, C.-J., Garrett-Roe, S., Ge, N.-H., Hanson-Heine, M. W. D., Hirst, J. D., Jansen, T. L. C., Kwac, K., Kubarych, K. J., Londergan, C. H., Maekawa, H., Reppert, M., Saito, S., ... Zanni, M. T. (2020). Vibrational Spectroscopic Map, Vibrational Spectroscopy, and Intermolecular Interaction. Chemical reviews, 120(15), 7152-7218. https://doi.org/10.1021/acs.chemrev.9b00813

Kriete, B., Luettig, J., Kunsel, T., Maly, P., Jansen, T. L. C., Knoester, J., Brixner, T., & Pshenichnikov, M. S. (2019). Interplay between structural hierarchy and exciton diffusion in artificial light harvesting. Nature Communications, 10, Article 4615. https://doi.org/10.1038/s41467-019-12345-9

Kunsel, T., Tiwari, V., Matutes, Y. A., Gardiner, A. T., Cogdell, R. J., Ogilvie, J. P., & Jansen, T. L. C. (2019). Simulating Fluorescence-Detected Two-Dimensional Electronic Spectroscopy of Multichromophoric Systems. Journal of Physical Chemistry B, 123(2), 394-406. https://doi.org/10.1021/acs.jpcb.8b10176

Loehner, A., Kunsel, T., Roehr, M. I. S., Jansen, T. L. C., Sengupta, S., Wuerthner, F., Knoester, J., & Koehler, J. (2019). Spectral and Structural Variations of Biomimetic Light-Harvesting Nanotubes. JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 10(11), 2715-2724. https://doi.org/10.1021/acs.jpclett.9b00303

Jansen, T. L. C., Saito, S., Jeon, J., & Cho, M. (2019). Theory of coherent two-dimensional vibrational spectroscopy. Journal of Chemical Physics, 150(10), Article 100901. https://doi.org/10.1063/1.5083966

Zhang, Q., Solanki, A., Parida, K., Giovanni, D., Li, M., Jansen, T. L. C., Pshenichnikov, M. S., & Sum, T. C. (2019). Tunable Ferroelectricity in Ruddlesden-Popper Halide Perovskites. ACS Applied Materials & Interfaces, 11(14), 13523-13532. https://doi.org/10.1021/acsami.8b21579

Jansen, T. L. C. (2019). Unraveling Molecular Packing in Two-Dimensional Excitonic Systems. Chem, 5(12), 3010-3012. https://doi.org/10.1016/j.chempr.2019.11.011

Kopec, W., Koepfer, D. A., Vickery, O. N., Bondarenko, A. S., Jansen, T. L. C., de Groot, B. L., & Zachariae, U. (2018). Direct knock-on of desolvated ions governs strict ion selectivity in K+ channels. Nature Chemistry, 10(8), 813-820. https://doi.org/10.1038/s41557-018-0105-9

Salamatova, E., Cunha, A. V., Bloem, R., Roeters, S. J., Woutersen, S., Jansen, T. L. C., & Pshenichnikov, M. S. (2018). Hydrophobic Collapse in N-Methylacetamide Water Mixtures. The Journal of Physical Chemistry. A: Molecules, Spectroscopy, Kinetics, Environment, & General Theory, 122(9), 2468-2478. https://doi.org/10.1021/acs.jpca.8b00276

Thyrhaug, E., Tempelaar, R., Alcocer, M. J. P., Zidek, K., Bina, D., Knoester, J., Jansen, T. L. C., & Zigmantas, D. (2018). Identification and characterization of diverse coherences in the Fenna-Matthews-Olson complex. Nature Chemistry, 10(7), 780-786. https://doi.org/10.1038/s41557-018-0060-5

Gallop, N. P., Selig, O., Giubertoni, G., Bakker, H. J., Rezus, Y. L. A., Frost, J. M., Jansen, T. L. C., Lovrincic, R., & Bakulin, A. A. (2018). Rotational Cation Dynamics in Metal Halide Perovskites: Effect on Phonons and Material Properties. JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 9(20), 5987-5997. https://doi.org/10.1021/acs.jpclett.8b02227

Jansen, T. L. C. (2018). Simple Quantum Dynamics with Thermalization. The Journal of Physical Chemistry. A: Molecules, Spectroscopy, Kinetics, Environment, & General Theory, 122(1), 172-183. https://doi.org/10.1021/acs.jpca.7b10380

Bari, S., Egorov, D., Jansen, T. L. C., Boll, R., Hoekstra, R., Techert, S., Zamudio-bayer, V., Bülow, C., Lindblad, R., Leistner, G., Ławicki, A., Hirsch, K., Miedema, P. S., Von Issendorf, B., Lau, T., & Schlathölter, T. (2018). Soft X-ray spectroscopy as a probe for gas-phase protein structure: Electron impact ionization from within. Chemistry, 24(30), 7631-7636. https://doi.org/10.1002/chem.201801440

Tiwari, V., Matutes, Y. A., Gardiner, A. T., Jansen, T. L. C., Cogdell, R. J., & Ogilvie, J. P. (2018). Spatially-resolved fluorescence-detected two-dimensional electronic spectroscopy probes varying excitonic structure in photosynthetic bacteria. Nature Communications, 9, Article 4219. https://doi.org/10.1038/s41467-018-06619-x

Guenther, L. M., Loehner, A., Reiher, C., Kunsel, T., Jansen, T. L. C., Tank, M., Bryant, D. A., Knoester, J., & Koehler, J. (2018). Structural Variations in Chlorosomes from Wild-Type and a bchQR Mutant of Chlorobaculum tepidum Revealed by Single-Molecule Spectroscopy. Journal of Physical Chemistry B, 122(26), 6712-6723. https://doi.org/10.1021/acs.jpcb.8b02875

Selig, O., Cunha, A. V., van Eldijk, M. B., van Hest, J. C. M., Jansen, T. L. C., Bakker, H. J., & Rezus, Y. L. A. (2018). Temperature-Induced Collapse of Elastin-like Peptides Studied by 2DIR Spectroscopy. Journal of Physical Chemistry B, 122(34), 8243-8254. https://doi.org/10.1021/acs.jpcb.8b05221

Farag, M. H., Jansen, T. L. C., & Knoester, J. (2018). The origin of absorptive features in the two-dimensional electronic spectra of rhodopsin. PPCP : Physical Chemistry Chemical Physics, 20(18), 12746-12754. https://doi.org/10.1039/c8cp00638e

Tran, H., Cunha, A. V., Shephard, J. J., Shalit, A., Hamm, P., Jansen, T. L. C., & Salzmann, C. G. (2017). 2D IR spectroscopy of high-pressure phases of ice. Journal of Chemical Physics, 147(14), Article 144501 - 144511. https://doi.org/10.1063/1.4993952

Tempelaar, R., Jansen, T. L. C., & Knoester, J. (2017). Exciton-Exciton Annihilation Is Coherently Suppressed in H-Aggregates, but Not in J-Aggregates. The Journal of Physical Chemistry Letters, 8(24), 6113-6117. https://doi.org/10.1021/acs.jpclett.7b02745, https://doi.org/10.48550/arxiv.1705.05861

Salamatova, E., Cunha, A. V., Shinokita, K., Jansen, T. L. C., & Pshenichnikov, M. S. (2017). Hydrogen bond and lifetime dynamics in diluted alcohols. PPCP : Physical Chemistry Chemical Physics, 19(41), 27960-27967. https://doi.org/10.1039/c7cp03222f

Cunha, A. V., Salamatova, E., Bloem, R., Roeters, S. J., Woutersen, S., Pshenichnikov, M. S., & Jansen, T. L. C. (2017). Interplay between Hydrogen Bonding and Vibrational Coupling in Liquid N-Methylacetamide. The Journal of Physical Chemistry Letters, 8(11), 2438-2444. https://doi.org/10.1021/acs.jpclett.7b00731

Selig, O., Sadhanala, A., Muller, C., Lovrincic, R., Chen, Z., Rezus, Y. L. A., Frost, J. M., Jansen, T. L. C., & Bakulin, A. A. (2017). Organic Cation Rotation and Immobilization in Pure and Mixed Methylammonium Lead-Halide Perovskites. Journal of the American Chemical Society, 139(11), 4068-4074. https://doi.org/10.1021/jacs.6b12239

Farag, M. H., Hoenders, B. J., Knoester, J., & Jansen, T. L. C. (2017). Spectral line shapes in linear absorption and two-dimensional spectroscopy with skewed frequency distributions. Journal of Chemical Physics, 146(23), Article 234201. https://doi.org/10.1063/1.4985665

Kriete, B., Bondarenko, A. S., Jumde, V. R., Franken, L. E., Minnaard, A. J., Jansen, T. L. C., Knoester, J., & Pshenichnikov, M. S. (2017). Steering Self-Assembly of Amphiphilic Molecular Nanostructures via Halogen Exchange. The Journal of Physical Chemistry Letters, 8(13), 2895-2901. https://doi.org/10.1021/acs.jpclett.7b00967

Frederix, P. W. J. M., Idé, J., Altay, Y., Schaeffer, G., Surin, M., Beljonne, D., Bondarenko, A. S., Jansen, T. L. C., Otto, S., & Marrink, S. J. (2017). Structural and Spectroscopic Properties of Assemblies of Self-Replicating Peptide Macrocycles. Acs Nano, 11(8), 7858-7868. https://doi.org/10.1021/acsnano.7b02211

Johnson, P. J. M., Farag, M. H., Halpin, A., Morizumi, T., Prokhorenko, V. I., Knoester, J., Jansen, T. L. C., Ernst, O. P., & Miller, R. J. D. (2017). The Primary Photochemistry of Vision Occurs at the Molecular Speed Limit. The Journal of Physical Chemistry. B: Materials, Surfaces, Interfaces, & Biophysical, 121(16), 4040-4047. https://doi.org/10.1021/acs.jpcb.7b02329

Cunha, A. V., Bondarenko, A. S., & Jansen, T. L. C. (2016). Assessing Spectral Simulation Protocols for the Amide I Band of Proteins. Journal of Chemical Theory and Computation, 12(8), 3982-3992. https://doi.org/10.1021/acs.jctc.6b00420

Tempelaar, R., Koster, J. A., Havenith, R., Knoester, J., & Jansen, T. (2016). Charge recombination suppressed by destructive quantum interference in heterojunction materials. Abstracts of Papers of the American Chemical Society, 252.

Tempelaar, R., Koster, L. J. A., Havenith, R. W. A., Knoester, J., & Jansen, T. L. C. (2016). Charge Recombination Suppressed by Destructive Quantum Interference in Heterojunction Materials. The Journal of Physical Chemistry Letters, 7(1), 198-203. https://doi.org/10.1021/acs.jpclett.5b02580

Tempelaar, R., Koster, L. J. A., Havenith, R. W. A., Knoester, J., & Jansen, T. L. C. (2016). Correction to “Charge Recombination Suppressed by Destructive Quantum Interference in Heterojunction Materials”. The Journal of Physical Chemistry Letters, 7(18), 3659-3659. https://doi.org/10.1021/acs.jpclett.6b01956

Tempelaar, R., Halpin, A., Johnson, P. J. M., Cai, J., Murphy, R. S., Knoester, J., Miller, R. J. D., & Jansen, T. L. C. (2016). Laser-Limited Signatures of Quantum Coherence. The Journal of Physical Chemistry. A: Molecules, Spectroscopy, Kinetics, Environment, & General Theory, 120(19), 3042-3048. https://doi.org/10.1021/acs.jpca.5b10312

Farag, M. H., Jansen, T. L. C., & Knoester, J. (2016). Probing the Interstate Coupling near a Conical Intersection by Optical Spectroscopy. The Journal of Physical Chemistry Letters, 7(17), 3328-3334. https://doi.org/10.1021/acs.jpclett.6b01463

Shi, L., Skinner, J. L., & Jansen, T. L. C. (2016). Two-dimensional infrared spectroscopy of neat ice I-h. PPCP : Physical Chemistry Chemical Physics, 18(5), 3772-3779. https://doi.org/10.1039/c5cp07264f

Bondarenko, A. S., & Jansen, T. L. C. (2015). Application of two-dimensional infrared spectroscopy to benchmark models for the amide I band of proteins. Journal of Chemical Physics, 142(21), Article 212437. https://doi.org/10.1063/1.4919716

van der Vegte, N., Prajapati, J., Kleinekathoefer, U., Knoester, J., & Jansen, T. (2015). Atomistic Modeling of Two-Dimensional Electronic Spectra and Excited State Dynamics for a Light Harvesting 2 Complex. The Journal of Physical Chemistry B, 119(4), 1302–1313. https://doi.org/10.1021/jp509247p

Hestand, N. J., Tempelaar, R., Knoester, J., Jansen, T. L. C., & Spano, F. C. (2015). Exciton mobility control through sub − Å packing modifications in molecular crystals. Physical Review. B: Condensed Matter and Materials Physics, 91(19), Article 195315. https://doi.org/10.1103/PhysRevB.91.195315

Shinokita, K., Cunha, A. V., Jansen, T. L. C., & Pshenichnikov, M. S. (2015). Hydrogen bond dynamics in bulk alcohols. Journal of Chemical Physics, 142(21), Article 212450. https://doi.org/10.1063/1.4921574

Bakulin, A. A., Selig, O., Bakker, H. J., Rezus, Y. L. A., Mueller, C., Glaser, T., Lovrincic, R., Sun, Z., Chen, Z., Walsh, A., Frost, J. M., & Jansen, T. L. C. (2015). Real-Time Observation of Organic Cation Reorientation in Methylammonium Lead Iodide Perovskites. The Journal of Physical Chemistry Letters, 6(18), 3663-3669. https://doi.org/10.1021/acs.jpclett.5b01555

Kruiger, J. F., van der Vegte, C. P., & Jansen, T. (2015). Suppressing sampling noise in linear and two-dimensional spectral simulations. Journal of Chemical Physics, 142(5), Article 054201. https://doi.org/10.1063/1.4907277

Jansen, T. L. C. (2014). Linear Absorption and Two-Dimensional Infrared Spectra of N-Methylacetamide in Chloroform Revisited: Polarizability and Multipole Effects. The Journal of Physical Chemistry B, 118(28), 8162-8169. https://doi.org/10.1021/jp5012445

Tempelaar, R., Spano, F. C., Knoester, J., & Jansen, T. L. C. (2014). Mapping the Evolution of Spatial Exciton Coherence through Time-Resolved Fluorescence. The Journal of Physical Chemistry Letters, 5(9), 1505-1510. https://doi.org/10.1021/jz500488u

van der Vegte, C. P., Knop, S., Voehringer, P., Knoester, J., & Jansen, T. L. C. (2014). OH-Stretching in Synthetic Hydrogen-Bonded Chains. The Journal of Physical Chemistry B, 118(23), 6256-6264. https://doi.org/10.1021/jp504267h

Halpin, A., Johnson, P. J. M., Tempelaar, R., Murphy, R. S., Knoester, J., Jansen, T. L. C., & Miller, R. J. D. (2014). Two-dimensional spectroscopy of a molecular dimer unveils the effects of vibronic coupling on exciton coherences. Nature Chemistry, 6(3), 196-201. https://doi.org/10.1038/NCHEM.1834

Tempelaar, R., Jansen, T. L. C., & Knoester, J. (2014). Vibrational Beatings Conceal Evidence of Electronic Coherence in the FMO Light-Harvesting Complex. The Journal of Physical Chemistry B, 118(45), 12865-12872. https://doi.org/10.1021/jp510074q

van der Vegte, C. P., Dijkstra, A. G., Knoester, J., & Jansen, T. L. C. (2013). Calculating Two-Dimensional Spectra with the Mixed Quantum-Classical Ehrenfest Method. The Journal of Physical Chemistry A, 117(29), 5970-5980. https://doi.org/10.1021/jp311668r

Bakulin, A. A., Cringus, D., Pieniazek, P. A., Skinner, J. L., Jansen, T. L. C., & Pshenichnikov, M. S. (2013). Dynamics of Water Confined in Reversed Micelles: Multidimensional Vibrational Spectroscopy Study. Journal of Physical Chemistry B, 117(49), 15545-15558. https://doi.org/10.1021/jp405853j

Liang, C., & Jansen, T. L. C. (2013). Simulation of Two-Dimensional Sum-Frequency Generation Response Functions: Application to Amide I in Proteins. Journal of Physical Chemistry B, 117(23), 6937-6945. https://doi.org/10.1021/jp403111j

Tempelaar, R., van der Vegte, C. P., Knoester, J., & Jansen, T. L. C. (2013). Surface hopping modeling of two-dimensional spectra. Journal of Chemical Physics, 138(16), 164106-1-164106-10. Article 164106. https://doi.org/10.1063/1.4801519

Liang, C., Louhivuori, M., Marrink, S. J., Jansen, T. L. C., & Knoester, J. (2013). Vibrational Spectra of a Mechanosensitive Channel. JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 4(3), 448-452. https://doi.org/10.1021/jz3019258

Liang, C., & Jansen, T. L. C. (2012). An Efficient N-3-Scaling Propagation Scheme for Simulating Two-Dimensional Infrared and Visible Spectra. Journal of Chemical Theory and Computation, 8(5), 1706-1713. https://doi.org/10.1021/ct300045c

Jansen, T. L. C., Dijkstra, A. G., Watson, T. M., Hirst, J. D., & Knoester, J. (2012). Erratum: “Modeling the amide I bands of small peptides” [J. Chem. Phys. 125, 044312 (2006)]. Journal of Chemical Physics, 136(20), Article 209901. https://doi.org/10.1063/1.4722584

Lessing, J., Roy, S., Reppert, M., Baer, M., Marx, D., Jansen, T. L. C., Knoester, J., & Tokmakoff, A. (2012). Identifying Residual Structure in Intrinsically Disordered Systems: A 2D IR Spectroscopic Study of the GVGXPGVG Peptide. Journal of the American Chemical Society, 134(11), 5032-5035. https://doi.org/10.1021/ja2114135

Liang, C., Knoester, J., & Jansen, T. L. C. (2012). Proton Transport in a Membrane Protein Channel: Two-Dimensional Infrared Spectrum Modeling. Journal of Physical Chemistry B, 116(22), 6336-6345. https://doi.org/10.1021/jp3019827

Roy, S., Pshenichnikov, M. S., & Jansen, T. L. C. (2011). Analysis of 2D CS Spectra for Systems with Non-Gaussian Dynamics. Journal of Physical Chemistry B, 115(18), 5431-5440. https://doi.org/10.1021/jp109742p

Olbrich, C., Jansen, T. L. C., Liebers, J., Aghtar, M., Struempfer, J., Schulten, K., Knoester, J., Kleinekathoefer, U., & Strümpfer, J. (2011). From Atomistic Modeling to Excitation Transfer and Two-Dimensional Spectra of the FMO Light-Harvesting Complex. Journal of Physical Chemistry B, 115(26), 8609-8621. https://doi.org/10.1021/jp202619a

Dijkstra, A. G., Jansen, T. L. C., & Knoester, J. (2011). Modeling the Vibrational Dynamics and Nonlinear Infrared Spectra of Coupled Amide I and II Modes in Peptides. Journal of Physical Chemistry B, 115(18), 5392-5401. https://doi.org/10.1021/jp109431a

Knop, S., Jansen, T. L. C., Lindner, J., & Voehringer, P. (2011). On the nature of OH-stretching vibrations in hydrogen-bonded chains: Pump frequency dependent vibrational lifetime. Physical Chemistry Chemical Physics, 13(10), 4641-4650. https://doi.org/10.1039/c0cp02143a

Liang, C., & Jansen, T. L. C. (2011). Proton transport in a binary biomimetic solution revealed by molecular dynamics simulation. Journal of Chemical Physics, 135(11), Article 114502. https://doi.org/10.1063/1.3636381

Liang, C., Jansen, T. L. C., & Knoester, J. (2011). Proton transport in biological systems can be probed by two-dimensional infrared spectroscopy. Journal of Chemical Physics, 134(4), 044502-1-044502-8. Article 044502. https://doi.org/10.1063/1.3522770

Roy, S., Lessing, J., Meisl, G., Ganim, Z., Tokmakoff, A., Knoester, J., & Jansen, T. L. C. (2011). Solvent and conformation dependence of amide I vibrations in peptides and proteins containing proline. Journal of Chemical Physics, 135(23), 234507-1-234507-11. Article 234507. https://doi.org/10.1063/1.3665417

Smith, A. W., Lessing, J., Ganim, Z., Peng, C. S., Tokmakoff, A., Roy, S., Jansen, T. L. C., & Knoester, J. (2010). Melting of a beta-Hairpin Peptide Using Isotope-Edited 2D IR Spectroscopy and Simulations. Journal of Physical Chemistry B, 114(34), 10913-10924. https://doi.org/10.1021/jp104017h

Roy, S., Jansen, T. L. C., & Knoester, J. (2010). Structural classification of the amide I sites of a beta-hairpin with isotope label 2DIR spectroscopy. Physical Chemistry Chemical Physics, 12(32), 9347-9357. https://doi.org/10.1039/b925645h