Publications

Rivero, U., Turan, H. T., Meuwly, M. and Willitsch, S. (2021) “Reactive atomistic simulations of Diels-Alder-type reactions: conformational and dynamic effects in the polar cycloaddition of 2,3-dibromobutadiene radical ions with maleic anhydride ”, Molecular Physics. Taylor & Francis, 119(1-2), p. e1825852. doi: 10.1080/00268976.2020.1825852.   edoc
Wang, J., Kilaj, A., He, L., Dlugolecki, K., Willitsch, S. and Kuepper, J. (2020) “Spatial Separation of the Conformers of Methyl Vinyl Ketone”, The journal of physical chemistry. A. AMER CHEMICAL SOC, 124(40), pp. 8341–8345. doi: 10.1021/acs.jpca.0c05893.   edoc | Open Access
Najafian, K., Meir, Z., Sinhal, M. and Willitsch, S. (2020) “Identification of molecular quantum states using phase-sensitive forces”, Nature Communications. Nature Publishing Group, 11(1), p. 4470. doi: 10.1038/s41467-020-18170-9.   edoc | Open Access
Sinhal, M., Meir, Z., Najafian, K., Hegi, G. and Willitsch, S. (2020) “Quantum-nondemolition state detection and spectroscopy of single trapped molecules”, Science. American Association for the Advancement of Science, 367(6483), pp. 1213–1218. doi: 10.1126/science.aaz9837.   edoc | Open Access
Meir, Z., Sinhal, M., Safronova, M. S. and Willitsch, S. (2020) “Combining experiments and relativistic theory for establishing accurate radiative quantities in atoms: The lifetime of the P-2(3/2) state in Ca-40(+)”, Physical Review A . American Physical Society , 101(1), p. 12509. doi: 10.1103/PhysRevA.101.012509.   edoc | Open Access
Doerfler, A. D., Yurtsever, E., Villarreal, P., Gonzalez-Lezana, T., Gianturco, F. A. and Willitsch, S. (2020) “Rotational-state-changing collisions between N-2(+) and Rb at low energies”, Physical Review A . American Physical Society , 101(1), p. 12706. doi: 10.1103/PhysRevA.101.012706.   edoc | Open Access
Najafian, K., Meir, Z. and Willitsch, S. (2020) “From megahertz to terahertz qubits encoded in molecular ions: theoretical analysis of dipole-forbidden spectroscopic transitions in N-2(+)”, Physical Chemistry Chemical Physics. Royal Society of Chemistry, 22(40), pp. 23083–23098. doi: 10.1039/d0cp03906c.   edoc | Open Access
Kilaj, A., Gao, H., Tahchieva, D., Ramakrishnan, R., Bachmann, D., Gillingham, D., von Lilienfeld, O. A., Kuepper, J. and Willitsch, S. (2020) “Quantum-chemistry-aided identification, synthesis and experimental validation of model systems for conformationally controlled reaction studies: separation of the conformers of 2,3-dibromobuta-1,3-diene in the gas phase”, Physical Chemistry Chemical Physics. Royal Society of Chemistry, 22(24), pp. 13431–13439. doi: 10.1039/d0cp01396j .   edoc | Open Access
Dörfler, A. D., Eberle, P., Koner, D., Tomza, M., Meuwly, M. and Willitsch, S. (2019) “Long-range versus short-range effects in cold molecular ion-neutral collisions”, Nature Communications. Nature Publishing Group, 10(1), p. 5429. doi: 10.1038/s41467-019-13218-x.   edoc | Open Access
Rivero, U., Unke, O. T., Meuwly, M. and Willitsch, S. (2019) “Reactive atomistic simulations of Diels-Alder reactions: The importance of molecular rotations”, Journal of Chemical Physics. AIP Publishing, 151(10), p. 104301. doi: 10.1063/1.5114981.   edoc | Open Access
Haas, D., von Planta, C., Kierspel, T., Zhang, D. and Willitsch, S. (2019) “Long-term trapping of Stark-decelerated molecules”, Communications physics. Nature Publishing Group, 2, p. 101. doi: 10.1038/s42005-019-0199-4.   edoc | Open Access
Rouse, I. and Willitsch, S. (2019) “The energy distribution of an ion in a radiofrequency trap interacting with a nonuniform neutral buffer gas”, Molecular Physics. Taylor & Francis, 117(21), pp. 3120–3131. doi: 10.1080/00268976.2019.1581952.   edoc | Open Access
Meir, Z., Hegi, G., Najafian, K., Sinhal, M. and Willitsch, S. (2019) “State-selective coherent motional excitation as a new approach for the manipulation, spectroscopy and state-to-state chemistry of single molecular ions”, Faraday Discussions. Royal Society of Chemistry, 217, pp. 561–583. doi: 10.1039/c8fd00195b.   edoc | Open Access
Gianturco, F. A., Dorfler, A. D., Willitsch, S., Yurtsever, E., Gonzalez-Lezana, T. and Villarreal, P. (2019) “N-2(+)((2)Sigma(g)) and Rb(S-2) in a hybrid trap: modeling ion losses from radiative association paths”, Physical Chemistry Chemical Physics. Royal Society of Chemistry, 21(16), pp. 8342–8351. doi: 10.1039/c8cp06761a.   edoc | Open Access
Fountas, P. N., Poggio, M. and Willitsch, S. (2019) “Classical and quantum dynamics of a trapped ion coupled to a charged nanowire”, New Journal of Physics. IOP Publishing, 21, p. 13030. doi: 10.1088/1367-2630/aaf8f5.   edoc | Open Access
Willitsch, S. (2018) “Probes of ion-neutral chemical dynamics with cold and controlled molecules”, Abstracts of papers of the American Chemical Society. American Chemical Society.   edoc
Vander Auwera, J., Godefroid, M., Halonen, L., Huet, T., Merkt, F., De Natale, P. and Willitsch, S. (2018) “25th Colloquium on High-Resolution Molecular Spectroscopy: special issue dedicated to Michel Herman”, Molecular Physics. Taylor & Francis, 116(23-24), pp. 3447–3462. doi: 10.1080/00268976.2018.1494881.   edoc
Meir, Z., Zhang, D. and Willitsch, S. (2018) “Cold molecules: techniques and applications”, SPG Mitteilungen. Schweizerische Physikalische Gesellschaft, 55, pp. 31–33.   edoc | Open Access
Rouse, I. and Willitsch, S. (2018) “Energy distributions of an ion in a radio-frequency trap immersed in a buffer gas under the influence of additional external forces”, Physical Review A. American Physical Society, 97(4), p. 42712. doi: 10.1103/PhysRevA.97.042712.   edoc | Open Access
Kilaj, A., Gao, H., Rösch, D., Rivero, U., Küpper, J. and Willitsch, S. (2018) “Observation of different reactivities of para and ortho-water towards trapped diazenylium ions”, Nature Communications. Nature Research, 9, p. 2096. doi: 10.1038/s41467-018-04483-3.   edoc
Dulieu, O. and Willitsch, S. (2017) “Ion Coulomb crystals: From quantum technology to chemistry close to the absolute zero point”, Europhysics News. EDP Sciences, 48(2), pp. 17–20. doi: 10.1051/epn/2017203 .   edoc | Open Access
Mokhberi, A., Schmied, R. and Willitsch, S. (2017) “Optimised surface-electrode ion-trap junctions for experiments with cold molecular ions”, New Journal of Physics. IOP PUBLISHING LTD, 19, p. 43023. doi: 10.1088/1367-2630/aa6918.   edoc | Open Access
Rouse, I. and Willitsch, S. (2017) “Superstatistical Energy Distributions of an Ion in an Ultracold Buffer Gas”, Physical review letters. American Physical Society, 118(14), p. 143401. doi: 10.1103/PhysRevLett.118.143401.   edoc | Open Access
Willitsch, S. (2017) “Chemistry with Controlled Ions”, in Rice, S. A. . and Dinner, A. R. . (eds.) Advances in Chemical Physics. Hoboken: Wiley Interscience, pp. 307–340. doi: 10.1002/9781119324560.ch5.   edoc | Open Access
Rivero, U., Meuwly, M. and Willitsch, S. (2017) “A computational study of the Diels-Alder reactions between 2,3-dibromo-1,3-butadiene and maleic anhydride”, Chemical Physics Letters. Elsevier, 683, pp. 598–605. doi: 10.1016/j.cplett.2017.03.063.   edoc | Open Access
Rösch, D., Gao, H., Kilaj, A. and Willitsch, S. (2016) “Design and characterization of a linear quadrupole ion trap for high-resolution Coulomb-crystal time-of-flight mass spectrometry”, EPJ Techniques and Instrumentation. EDP Sciences with Springer and Società Italiana di Fisica, 3, p. 5. doi: 10.1140/epjti/s40485-016-0032-3.   edoc | Open Access
Ploenes, L., Haas, D., Zhang, D., van de Meerakker, S. Y. T. and Willitsch, S. (2016) “Cold and intense OH radical beam sources”, Review of Scientific Instruments. AIP Publishing , 87(5), p. 53305. doi: 10.1063/1.4948917.   edoc | Open Access
Germann, M. and Willitsch, S. (2016) “Fine- and hyperfine-structure effects in molecular photoionization. I. General theory and direct photoionization”, Journal of Chemical Physics. AIP Publishing, 145(4), p. 44314. doi: 10.1063/1.4955301.   edoc | Open Access
Germann, M. and Willitsch, S. (2016) “Fine- and hyperfine-structure effects in molecular photoionization. II. Resonance-enhanced multiphoton ionization and hyperfine-selective generation of molecular cations”, Journal of Chemical Physics. AIP Publishing, 145(4), p. 44315. doi: 10.1063/1.4955303.   edoc | Open Access
Eberle, P., Dörfler, A. D., von Planta, C., Ravi, K. and Willitsch, S. (2016) “A Dynamic Ion-Atom Hybrid Trap for High-Resolution Cold-Collision Studies”, ChemPhysChem. Wiley, 17(22), pp. 3769–3775. doi: 10.1002/cphc.201600643.   edoc | Open Access
Germann, M. and Willitsch, S. (2016) “Line strengths for fine- and hyperfine-resolved electric-quadrupole rotation-vibration transitions in Hund’s case b molecules”, Molecular Physics. Taylor & Francis, 114(6), pp. 769–773. doi: 10.1080/00268976.2015.1118568.   edoc | Open Access
Germann, M., Tonga, X. and Willitsch, S. (2015) “Forbidden Vibrational Transitions in Cold Molecular Ions: Experimental Observation and Potential Applications”, Chimia. Schweizerische Chemische Gesellschaft, 69(4), pp. 213–216. doi: 10.2533/chimia.2015.213.   edoc | Open Access
Mokhberi, A. and Willitsch, S. (2015) “Structural and energetic properties of molecular Coulomb crystals in a surface-electrode ion trap”, New Journal of Physics. IOP Publishing, 17(4), p. 45008. doi: 10.1088/1367-2630/17/4/045008.   edoc | Open Access
Dulieu, O. and Willitsch, S. (2015) “Cristaux coulombiens: De la technologie quantique à la chimie proche du zéro absolu”, Reflets de la physique. EDP Sciences , 44-45, pp. 91–94. doi: 10.1051/refdp/20154445091.   edoc | Open Access
Eberle, P., Dörfler, A. D., von Planta, C., Ravi, K., Haas, D., Zhang, D., Meeraker, S. Y. T. and Willitsch, S. (2015) “Ion-Atom and Ion-Molecule Hybrid Systems: Ion-Neutral Chemistry at Ultralow Energies”, Journal of Physics: Conference Series. IOP Publishing, 635(1), p. 12012. doi: 10.1088/1742-6596/635/1/012012.   edoc | Open Access
Willitsch, S. and Rouse, I. (2015) “Superstatistical velocity distributions of cold trapped ions in molecular dynamics simulations”, Physical Review A . American Physical Society, 92(5), p. 53420. doi: 10.1103/PhysRevA.92.053420.   edoc | Open Access
Willitsch, S. (2015) “Ion-atom hybrid systems”, Proceedings of the International School of Physics "Enrico Fermi". IOS Press, 189, pp. 255–268. doi: 10.3254/978-1-61499-526-5-255.   edoc | Open Access
Mokhberi, A. and Willitsch, S. (2014) “Sympathetic cooling of molecular ions in a surface-electrode ion trap”, Physical Review A. American Physical Society, 90(2), p. 23402. doi: 10.1103/PhysRevA.90.023402.   edoc | Open Access
Germann, M., Tong, X. and Willitsch, S. (2014) “Observation of electric-dipole-forbidden infrared transitions in cold molecular ions”, Nature Physics. Nature Publishing Group , 10, pp. 820–824. doi: 10.1038/nphys3085.   edoc
Rösch, D., Willitsch, S., Chang, Y.-P. and Küpper, J. (2014) “Chemical reactions of conformationally selected 3-aminophenol molecules in a beam with Coulomb-crystallized Ca+ ions”, Journal of Chemical Physics. AIP Publishing, 140(12), p. 124202. doi: 10.1063/1.4869100.   edoc | Open Access
Chang, Y.-P., Długołęcki, K., Küpper, J., Rösch, D., Wild, D. and Willitsch, S. (2013) “Specific Chemical Reactivities of Spatially Separated 3-Aminophenol Conformers with Cold Ca+ Ions”, Science. American Association for the Advancement of Science, 342(6154), pp. 98–101. doi: 10.1126/science.1242271.   edoc
Willitsch, S. (2013) “Molecular physics: Ultracold ménage à trois”, Nature Physics. Nature Publishing Group , 9, pp. 461–462. doi: 10.1038/nphys2683.   edoc
Hall, F. H. J., Aymar, M., Raoult, M. ., Dulieu, O. . and Willitsch, S. . (2013) “Light-assisted cold chemical reactions of barium ions with rubidium atoms”, Molecular Physics. Taylor & Francis, 111, pp. 1683–1690. doi: 10.1080/00268976.2013.770930.   edoc
Hall, F. H. J., Eberle, P., Hegi, G., Raoult, M. ., Aymar, M., Dulieu, O. and Willitsch, S. (2013) “Ion-neutral chemistry at ultralow energies: dynamics of reactive collisions between laser-cooled Ca+ ions and Rb atoms in an ion-atom hybrid trap”, Molecular Physics. Taylor & Francis, 111, p. 2020. doi: 10.1080/00268976.2013.780107.   edoc
Mur-Petit, J., Perez-Rios, J., Campos-Martinez, J., Hernandez, M. I., Willitsch, S. and Garcia-Ripoll, J. J. (2013) “Toward a Molecular Ion Qubit”, in Architecture and Design of Molecule Logic Gates and Atom Circuits Architecture and Design of Molecule Logic Gates and Atom Circuits. Springer (Advances in Atom and Single Molecule Machines), pp. 267–277. doi: 10.1007/978-3-642-33137-4_20.   edoc
Mur-Petit, J., P`erez-R`ios, J., Campos-Mart`inez, J., Hern`andez, M. I., Willitsch, S. and Garc`ia-Ripoll, J. J. (2012) “Temperature-independent quantum logic for molecular spectroscopy”, Physical review. A, Atomic, Molecular, and Optical Physics. American Institute of Physics, Vol. 85, H. 2 , 022308.   edoc
Hall, F. H. J. and Willitsch, S. (2012) “Millikelvin Reactive Collisions between Sympathetically Cooled Molecular Ions and Laser-Cooled Atoms in an Ion-Atom Hybrid Trap”, Physical Review Letters. American Physical Society, 109(23), p. 233202. doi: 10.1103/PhysRevLett.109.233202.   edoc | Open Access
Willitsch, S. (2012) “Coulomb-crystallised molecular ions in traps: methods, applications, prospects”, International reviews in physical chemistry. Taylor & Francis, Vol. 31, H. 2, pp. 175–199. doi: 10.1080/0144235X.2012.667221.   edoc
Tong, X., Nagy, T., Yosa Reyes, J., Germann, M., Meuwly, M. and Willitsch, S. (2012) “State-selected ion-molecule reactions with Coulomb-crystallized molecular ions in traps”, Chemical Physics Letters. Elsevier, 547, pp. 1–8. doi: 10.1016/j.cplett.2012.06.042.   edoc
Merkt, F., Hollenstein, U. and Willitsch, S. (2011) “High‐resolution Photoelectron Spectroscopy”, in Quack, M. and Merkt, F. (eds.) Handbook of High-resolution Spectroscopies. Chichester: Wiley, p. 1617. doi: 10.1002/9780470749593.hrs071.   edoc
Willitsch, S. (2011) “Experimental Methods in Cation Spectroscopy”, in Quack, M. and Merkt, F. (eds.) Handbook of High-Resolution Spectroscopies. Chichester: Wiley, p. 1691. doi: 10.1002/9780470749593.hrs067.   edoc
Tong, X., Wild, D. and Willitsch, S. (2011) “Collisional and radiative effects in the state-selective preparation of translationally cold molecular ions in ion traps”, Physical Review A. American Physical Society, 83(2), p. 23415. doi: 10.1103/PhysRevA.83.023415.   edoc | Open Access
Georgescu, I. M. and Willitsch, S. (2011) “Theoretical characterization of laser- and sympathetically-cooled ions in surface-electrode ion traps”, Physical Chemistry Chemical Physics. Royal Society of Chemistry, 13(42), pp. 18852–18858. doi: 10.1039/C1CP20733D .   edoc
Hall, F. H. J., Aymar, M., Bouloufa-Maafa, N., Dulieu, O. and Willitsch, S. (2011) “Light-Assisted Ion-Neutral Reactive Processes in the Cold Regime: Radiative Molecule Formation versus Charge Exchange”, Physical Review Letters. American Physical Society, 107(24), p. 243202. doi: 10.1103/PhysRevLett.107.243202.   edoc | Open Access
Dulieu, O., Krems, R., Weidemüller, M. and Willitsch, S. (2011) “Physics and Chemistry of Cold Molecules”, Physical Chemistry Chemical Physics. Royal Society of Chemistry, 13(42), pp. 18703–18704. doi: 10.1039/C1CP90157E.   edoc
Tong, X., Winney, A. H. and Willitsch, S. (2010) “Sympathetic Cooling of Molecular Ions in Selected Rotational and Vibrational States Produced by Threshold Photoionization”, Physical Review Letters. American Physical Society, 105(14), p. 143001. doi: 10.1103/PhysRevLett.105.143001.   edoc | Open Access
Willitsch, S. (2010) “Nahe am Nullpunkt”, Nachrichten aus der Chemie. De Gruyter , 58(9), pp. 872–875. doi: 10.1002/nadc.201074036.   edoc | Open Access
Maier, J. P. . and Willitsch, S. . (2010) “Spectroscopy and Chemical Dynamics”, Chimia. Schweizerische Chemische Gesellschaft, 64(12), pp. 855–858. doi: 10.2533/chimia.2010.855.   edoc | Open Access
Willitsch, S. (2010) “Molecular physics: very cool molecular ions”, Nature Physics. Nature Publishing Group , 6(4), pp. 240–241. doi: 10.1038/nphys1643.   edoc
Willitsch, S. (2009) “Molecules and Ions at Very Low Temperatures”, Chimia. Schweizerische Chemische Gesellschaft, 63(1/2), pp. 54–57. doi: 10.2533/chimia.2009.54.   edoc | Open Access
Bell, M. T., Gingell, A. D., Oldham, J. M., Softley, T. P. and Willitsch, S. (2009) “Ion-molecule chemistry at very low temperatures : cold chemical reactions between Coulomb-crystallized ions and velocity-selected neutral molecules”, in Faraday Discussions. London: Royal Society of Chemistry, pp. 73–91. doi: 10.1039/b818733a.   edoc
Willitsch, S., Bell, M. T., Gingell, A. D. and Softley, T. P. (2008) “Chemical applications of laser- and sympathetically-cooled ions in ion traps ”, Physical Chemistry Chemical Physics. Royal Society of Chemistry, 10(48), pp. 7200–7210. doi: 10.1039/b813408c.   edoc