Institute for Molecules and Materials, Radboud University Nijmegen

Mon

13-Apr-2026,

12.30,

HG01.028,

Greta Carminati

Group meeting

News

Mar 19	2026	Nature, droplets of ultracold dipolar molecules (IMM News)
Nov 24	2025	Hubert Jóźwiak 1st prize Cyfronet AGH Best PhD Thesis"
Aug 5	2025	Nature Communications, inelastic ND3-H2 collisions (IMM News)
Jun 3	2025	PhD graduation Kim Steenbakkers (IMM News)
May 23	2025	PhD graduation Saba Ghasemlou
Feb 4	2025	Physical Review Letters, Dipolar droplets
Dec 4	2024	PhD graduation Marijn P. Man
Nov 5	2024	Nature Communications, hydrogen bonding in H2S dimer
Oct 29	2024	PhD graduation Taha Selim
Oct 15	2024	Tijs Karman KNAW Early Career Award
Oct 10	2024	Etienne Walraven in final 3 of KNCV, Avond van de chemie, Spotlight prijs 2024
Jul 4	2024	Nature Astronomy, Detection dangling OH ice feature with JWST
Jun 3	2024	Nature, Observation of Bose-Einstein condensation of dipolar molecules (IMM News)
May 16	2024	Nature Physics, Ultracold chemistry as a testbed for few-body physics
May 3	2024	Physical Review Letters, Scheme for deterministic loading of laser-cooled molecules into optical tweezers (IMM news) (C2W) (C2W International)
Sep 22	2023	Kim Steenbakkers wins Rao Prize at International Symposium on Molecular Spectroscopy
Sep 4	2023	Nature Phys. Collisionally stable gas of bosonic dipolar ground-state molecules (IMM news)
Jun 8	2023	Science, Cs@InSb (IMM news)
Apr 14	2023	Science, H2+He*/Ne*→ H2+(v,j)+He/Ne
Mar 9	2023	Science, NO-ND3
Mar 6	2023	Dr. Tijs Karman awarded a NWO-M Grant, molecular interactions and quantum simulation
Feb 1	2023	Nature, Field-linked resonances of polar molecules
Jan 23	2023	Nature Astronomy, An Ice Age JWST inventory of dense molecular cloud ices

Dec 6	2022	Physical Review Letters, Symmetry breaking in sticky collisions between ultracold molecules
Jul 27	2022	Nature, Evaporative cooling of molecules
Mar 21	2022	Nature Chemistry, Hard-collision glory scattering
Mar 18	2022	Nature Communications, Ammonia dimer
Mar 4	2022	Science, Triplet NaLi+Na Feshbach resonances
Feb 24	2022	Nature Chemistry, NO-He partial wave dynamics
Aug 29	2021	Prof. Ad van der Avoird gives Taylor & Francis Molecular Physics lecture
Aug 13	2021	Science, Microwave shielding of ultracold molecules
Apr 14	2021	J. Phys. Chem. Lett., Molecular fingerprints of hydrophobicity
Mar 18	2021	Radboud Network for Women Professors Prize 2021 for Dr Jolijn Onvlee
Feb 25	2021	Nature Chemistry, metastable helium + D2 collisions
Feb 1	2021	Dr. Tijs Karman joins the group as a tenure tracker
Jan 27	2021	Accounts of Chemical Research, Chemical Desorption in Molecular Clouds
Jan 12	2021	Natural Sciences, Para-ortho H2 conversion
Nov 30	2020	Clara Immerwahr Award 2021 for Dr. Daria Galimberti
Nov 16	2020	Nature Astronomy, Glycine formation
Nov 2	2020	Dr. Daria Galimberti joins the group as tenure tracker
Jul 17	2020	Science, CO+CO
May 11	2020	Nature Chemistry, NO(v=10)+Ar
May 8	2020	Science, NO+He
Nov 11	2019	Arthur Christianen wins Shell Graduation Prize for Physics
Oct 8	2019	Nature Communications, Thermoelastic microactuator
Sept 17	2019	Physical Review Letters, NaK+NaK
Jul 1	2019	Prof. dr. Herma Cuppen Professor by special appointment in Simulation of Restructuring in Molecular Solids at UvA
Apr 25	2019	J. Phys. Chem. Lett., NO(v=10)+Ar
Nov	2018	Links to open access discussion
Oct 16	2018	Physical Review Letters, Microwave shielding of ultracold polar molecules - postdoc project Tijs Karman in Durham
Sep 28	2018	PhD graduation of Dr. Mireille Smets
Apr 9	2018	Nature Chemistry, Collision induced absorption, O2+O2, N2
Apr 6	2018	PhD graduation Dr. Tijs Karman
Feb 19	2018	Nature Chemistry, NO-O2 product pairs
Feb 19	2018	Nature Chemistry, NO-H2 challenge of the gold standard
Jan 30	2018	Nature Astronomy, Methanol (ScienceDaily)
Jan 16	2018	Physical Review Letters, NH3+NH3 in Molecular Synchrotron
Jan 15	2018	Rubicon grant for Dr. Tijs Karman
Jan 1	2018	Gijs Schaftenaar, author of MOLDEN, joined our group
Jan 1	2018	Prof. Dr. Herma Cuppen appointed Professor of Computational Chemistry
Feburary 10	2017	PhD graduation Dr. Jolijn Onvlee
Jan	2017	Nature Physics, Merged beam penning ionization
Dec 8	2016	J. Phys. Chem. Lett.: Methylammonium Lead Halide Perovskites
Oct 31	2016	Nature Chemistry: NO+Rg stereodynamics
Oct 17	2016	Nature Physics: He*+H2
Oct 13	2016	Boy Lankhaar wins 1st prize KNCV Golden Master
Oct 18	2016	PhD graduation Dr. Pegah Zolfaghari
Oct 10	2016	PhD graduation Dr. Prasenjit Roy
Sep 26	2016	PhD graduation Dr. Joost A. van den Ende
Sep 19	2016	PhD graduation Dr. Eduardo Penteado
Apr	2016	Physical Review Letters: OH electric and magnetic dipole moment
Mar 3	2016	PhD graduation Dr. Lei Song
Nov	2015	Science: He+NO resonances
May 12	2015	PhD graduation Dr. leendertjan Karssemijer
Mar	2015	Nature Chemistry: He+CO resonances
Dec	2014	Physical Review Letters: Ne/Ar+NO diffraction oscillations
Sep	2014	Nature Chemistry: Azide-alkyne cycloaddition
Jul	2014	The ESM and theoretical chemistry groups merge
Mar	2014	Liesbeth Janssen wins NTvN prize
Feb	2014	Nature Chemistry: He/Ne+NO, diffraction oscillations
Nov	2013	Chemical Reviews: Kinetic Monte Carlo
Jun 13	2013	PhD graduation Dr. Dennis L. A. G. Grimminck
Apr	2013	Angewandte Chemie: Benzene dimer
Feb	2013	Physical Review Letters: ultracold NH+NH
Jun	2012	Summerschool: Chemistry and Infrared Spectroscopy of Interstellar Dust
Nov	2012	Science: OH+NO
Dec	2012	Prof. dr. Matthias Bickelhaupt special appointment Professor of Theoretical Organic Chemistry
Apr 25	2012	PhD graduation Dr. Liesbeth M. C. Janssen
Apr	2012	Prof. dr. ir. Gerrit C. Groenenboom: appointed Professor of Theoretical Chemistry
Jan	2011	Nature Chemistry: O(1D2) imaging
Nov	2010	Dr. Herma Cuppen: VIDI Grant "Kinetics in Soft Molecular Layers"
Oct	2010	Dr. Herma Cuppen: ERC Starting Grant "Kinetics in Soft Molecular Layers"

The group (Apr 2012)

Postal address
Radboud University Nijmegen
IMM - Faculty of Science
P.O. Box 9010
6500 GL Nijmegen
The Netherlands

Visiting address
Huygens building
Heyendaalseweg 135
6525 AJ Nijmegen
The Netherlands

Management assistant: Anja Föllings, e-mail: A.Follings@science.ru.nl, room number HG03.049, phone +31-24.365.2572

Constructed by the Theoretical & Computational Chemistry Literature Database
Search: avoird|bickelhaupt|cuppen|groenenboom|schaftenaar|wijs|wormer|karman|galimberti AND 2016|2017|2018|2019|2020|2021|2022|2023|2024|2025|2026|2027|2028

1. Observation of self-bound droplets of ultracold dipolar molecules
   Siwei Zhang, Weijun Yuan, Niccolò Bigagli, Haneul Kwak, Tijs Karman, Ian Stevenson, and Sebastian Will
   Nature, 651, 601–606 (2026)  [doi]  [pdf]
2. Production and Detection of m_j-resolved Samples of ND₃
   Pierre Sustar, Christopher Sparling, Irene de Vries, Robin Verwegen, Gerrit C. Groenenboom, and Sebastiaan van de Meerakker
   Mol. Phys., 0, e2610003 (2026)  [doi]  [pdf]
3. High-resolution ro-vibrational and rotational spectroscopy of the open-shell, linear CCH⁺ (³Π) ion
   Kim Steenbakkers, Weslley G. D. P. Silva, Oskar Asvany, Gerrit C. Groenenboom, Pavol Jusko, Britta Redlich, Sandra Brünken, and Stephan Schlemmer
   J. Phys. Chem. A, April13, accepted (2026)  [doi]  [part II]  [Supplement]
4. Experimental proof of strong Π-Σ mixing in the Renner-Teller and Psudo-Jahn-Teller affected CCH⁺ (³Π) ion
   Kim Steenbakkers, Bryan P. Changala, Weslley G. D. P. Silva, John F. Stanton, Filippo Lipparini, Jürgen Gauss, Oskar Asvany, Gerrit C. Groenenboom, Britta Redlich, Stephan Schlemmer, and Sandra Brünken
   J. Phys. Chem. Lett., 17, xx (2026)  [doi]  [pdf]
5. Automated wide-line nuclear quadrupole resonance of mixed-cation lead-halide perovskites
   J. W. Wolffs, J. S. Gómez, G. E. Janssen, G. A. de Wijs, and A. P. M. Kentgens
   Magnetic Resonance, 6, 143 (2025)  [doi]  [https://mr.copernicus.org/articles/6/143/2025/]
6. Hyperfine van der Waals repulsion between open-shell polar molecules
   Etienne F. Walraven and Tijs Karman
   Phys. Rev. A, 112, 032810 (2025)  [doi]  [pdf]
7. Collisional rate coefficients for OH-H₂ at high temperatures
   Z. van den Heuvel, B. Tabone, E. F. van Dishoeck, G. C. Groenenboom, and A. van der Avoird
   Astron. Astrophys., x, accepted (2025)   [arXiv:2512.08420]
8. Phosphorus Oxidation Controls Epitaxial Shell Growth in InP/ZnSe Quantum Dots
   Reinout F. Ubbink, Tom Speelman, Daniel Arenas Esteban, Mourijn van Leeuwen, Maarten Stam, Sara Bals, Gilles A. De Wijs, Ernst R. H. van Eck, and Arjan J. Houtepen
   ACS Nano, 19, 1150 (2025)  [doi]   [arXiv:https://doi.org/10.1021/acsnano.4c13110]  [https://doi.org/10.1021/acsnano.4c13110]
9. NMR chemical shielding for solid-state systems using spin–orbit coupled ZORA GIPAW
   T. Speelman, M.-T. Huebsch, R. W. A. Havenith, M. Marsman, and G. A. de Wijs
   J. Chem. Phys., 163, 104115 (2025)  [doi]   [arXiv:https://pubs.aip.org/aip/jcp/article-pdf/doi/10.1063/5.0278794/20695564/104115_1_5.0278794.pdf]  [https://doi.org/10.1063/5.0278794]
10. IR-Induced CO photodesorption from pure CO ice and CO on amorphous solid water
    Laura Slumstrup, John D. Thrower, Johanna G. M. Schrauwen, Thanja Lamberts, Emily R. Ingman, Domantas Laurinavicius, Jessalyn DeVine, Jeroen Terwisscha van Scheltinga, Julia C. Santos, Jennifer A. Noble, Gabi Wenzel, Martin R. S. McCoustra, Wendy A. Brown, Harold Linnartz, Liv Hornekær, Herma M. Cuppen, Britta Redlich, and Sergio Ioppolo
    ACS Earth Space Chem., 9, 1607–1621 (2025)  [doi]  [pdf]
11. IR-Induced CO Photodesorption from Pure CO Ice and CO on Amorphous Solid Water
    L. Slumstrup, J. D. Thrower, J. G. M. Schrauwen, T. Lamberts, E. R. Ingman, D. Laurinavicius, J. Devine, J. Terwisscha van scheltinga, J. C. Santos, J. A. Noble, G. Wenzel, M. R. S. McCoustra, W. A. Brown, H. Linnartz, L. Hornekaer, H. M. Cuppen, B. Redlich, and S. Ioppolo
    ACS Earth Space Chem., , (2025)  [doi]
12. Infrared Irradiation of H₂O:CO₂ Ice: A Combined Experimental and Computational Study of the Dissipation of CO₂ Vibrational Excitations
    J. G. M. Schrauwen, T. M. Dijkhuis, S. Ioppolo, D. R. Galimberti, B. Redlich, and H. M. Cuppen
    ACS Earth Space Chem., , (2025)  [doi]
13. Infrared Irradiation of H2O:CO2 Ice: A Combined Experimental and Computational Study of the Dissipation of CO2 Vibrational Excitations
    Johanna G. M. Schrauwen, Tobias M. Dijkhuis, Sergio Ioppolo, Daria R. Galimberti, Britta Redlich, and Herma M. Cuppen
    ACS Earth and Space Chemistry, 9, 1580 (2025)  [doi]
14. Studying Pure chCH4 and the Interaction of chCH4 and chH2O in Interstellar Ice Analogues with On-Resonance Infrared Irradiation
    J. G. M. Schrauwen, H. M. Cuppen, S. Ioppolo, and B. Redlich
    J. Phys. Chem. A, 129, 6883 (2025)  [doi]
15. Equivariant machine learning of electric field gradients—Predicting the quadrupolar coupling constant in the MAPbI3 phase transition
    Bernhard Schmiedmayer, Jop W. Wolffs, Gilles A. de Wijs, Arno P. M. Kentgens, Jonathan Lahnsteiner, and Georg Kresse
    The Journal of Chemical Physics, 163, 214110 (2025)  [doi]   [arXiv:https://pubs.aip.org/aip/jcp/article-pdf/doi/10.1063/5.0301056/20818798/214110_1_5.0301056.pdf]  [https://doi.org/10.1063/5.0301056]
16. Poly(N-acyliminophosphoranes): main chain functionalized poly(ylides) with pH-dependent degradation
    Kevin Neumann, Dulce M. Sánchez-Cerrillo, and Daria R. Galimberti
    Chem. Commun., , (2025)  [doi]
17. Molecular mobility of extraterrestrial ices: surface diffusion in astrochemistry and planetary science
    N. F. W. Ligterink, C. Walsh, H. M. Cuppen, M. N. Drozdovskaya, A. Ahmad, D. M. Benoit, J. T. Carder, A. Das, J. K. Diaz-berrios, F. Dulieu, J. Heyl, A. Jardine, T. Lamberts, N. M. Mikkelsen, and M. Tsuge
    Phys. Chem. Chem. Phys., 27, 19630 (2025)  [doi]
18. Dipolar Droplets of Strongly Interacting Molecules
    Tim Langen, Jordi Boronat, Juan Sánchez-Baena, Raúl Bombin, Tijs Karman, and Ferran Mazzanti
    Phys. Rev. Lett., 134, 053001 (2025)  [doi]  [pdf]
19. Assignment of IR spectra of ethanol at Brønsted sites of H-ZSM-5 to monomer adsorption using a Fermi resonance model
    Dipanshu Kumar, Joachim Sauer, Alessia Airi, Silvia Bordiga, and Daria Ruth Galimberti
    Phys. Chem. Chem. Phys., 27, 550 (2025)  [doi]
20. Imaging resonances in low-energy ND₃-H₂ collisions
    Stach Kuijpers, David. H. Parker, Jerome Loreau, Ad van der Avoird, and Sebastiaan Y. T. van de Meerakker
    Nature Commun., 16, 7181 (2025)  [doi]
21. Double Microwave Shielding
    Tijs Karman, Niccol`o Bigagli, Weijun Yuan, Siwei Zhang, Ian Stevenson, and Sebastian Will
    PRX Quantum, 6, 020358 (2025)  [doi]  [pdf]
22. Modelling methanol and hydride formation in the JWST Ice Age era
    I. Jiménez-serra, A. Megias, J. Salaris, H. Cuppen, A. Taillard, M. Jin, V. Wakelam, A. I. Vasyunin, P. Caselli, Y. J. Pendleton, E. Dartois, J. A. Noble, S. Viti, K. Borshcheva, R. T. Garrod, T. Lamberts, H. Fraser, G. Melnick, M. Mcclure, W. Rocha, M. N. Drozdovskaya, and D. C. Lis
    Astron. Astrophys., 695, A247 (2025)  [doi]
23. Complex spin structure and magnetic phase transition of Mn_3ensuremath-xFe_xSn alloys
    W. Hanggai, O. Hamutu, G. A. de Wijs, I. Dugulan, N. H. van Dijk, and E. Brück
    Phys. Rev. B, 112, 014407 (2025)  [doi]  [https://link.aps.org/doi/10.1103/pvjm-jvsr]
24. Gas-phase, conformer-specific infrared spectra of 3-chlorophenol and 3-fluorophenol
    Olga A. Duda, Alexander K. Lemmens, Gerrit C. Groenenboom, Daniel A. Horke, and Joost M. Bakker
    Phys. Chem. Chem. Phys., 27, 7565 (2025)  [doi]  [pdf]  [part II]  [Supplement]
25. Influence of the computational methods in the conformational assignment of experimental infrared spectra
    Roel Van de Ven, Herma M. Cuppen, and Daria R. Galimberti
    Vibrational Spectroscopy, 141, 103863 (2025)  [doi]
26. Water-Soluble Sulfur-Ylide-Functionalized Polyacrylamides for Antibacterial Surface Applications
    Bela B. Berking, Dimitrios Karagrigoriou, Daria R. Galimberti, Bai H. E. Zhang, Daniela A. Wilson, and Kevin Neumann
    Langmuir, 41, 8627 (2025)  [doi]
27. Scheme for Deterministic Loading of Laser-Cooled Molecules into Optical Tweezers
    Etienne F. Walraven, Michael R. Tarbutt, and Tijs Karman
    Phys. Rev. Lett., 132, 183401 (2024)  [doi]  [pdf]
28. Rotational-state dependence of interactions between polar molecules
    Etienne F. Walraven and Tijs Karman
    Phys. Rev. A, 109, 043310 (2024)  [doi]  [pdf]
29. Digging into the friction reduction mechanism of organic friction modifiers on steel surfaces: Chains packing vs. molecule–metal interactions
    N. S. Villa, L. Bonoldi, G. Assanelli, M. Notari, A. Lucotti, M. Tommasini, H. M. Cuppen, and D. R. Galimberti
    Trib. Int., 195, 109649 (2024)  [doi]
30. Digging into the friction reduction mechanism of organic friction modifiers on steel surfaces: Chains packing vs. molecule-metal interactions
    Nicolo S. Villa, Luicia Bonoldii, Giulio Assanelli, Marcello Notari, Andrea Lucotti, Matteo Tommasini, Herma M. Cuppen, and Daria R. Galimberti
    Tribology International, , 109649 (2024)  [doi]
31. Leak-out spectroscopy as alternative method to rare-gas tagging for Renner-Teller perturbed HCCH⁺ and DCCD⁺ ions
    Kim Steenbakkers, Tom van Boxtel, Gerrit C. Groenenboom, Oskar Asvany, Britta Redlich, Stephan Schlemmer, and Sandra Brünken
    Phys. Chem. Chem. Phys., 26, 2692 (2024)  [doi]  [pdf]  [Supplement]
32. The effect of dilution on the energy dissipation in water interstellar ice analogues
    J. G. M. Schrauwen, H. M. Cuppen, S. Ioppolo, and B. Redlich
    Astron. Astrophys., 691, A209 (2024)  [doi]
33. Detection of the elusive dangling OH ice features at 2.7 μm in Chamaeleon I with JWST NIRCam
    J. A. Noble, H. J. Fraser, Z. L. Smith, E. Dartois, A. C. A. Boogert, H. M. Cuppen, H. J. Dickinson, F. Dulieu, E. Egami, J. Erkal, B. M. Giuliano, B. Husquinet, T. Lamberts, B. Maté, M. K. Mcclure, M. E. Palumbo, T. Shimonishi, F. Sun, J. B. Bergner, W. A. Brown, P. Caselli, E. Congiu, M. N. Drozdovskaya, V. J. Herrero, S. Ioppolo, I. Jimenez-serra, H. Linnartz, G. J. Melnick, B. A. Mcguire, K. I. Oberg, G. Perotti, D. Qasim, W. R. M. Rocha, and R. G. Urso
    Nature Astron., , (2024)  [doi]
34. Detection of the elusive dangling OH ice features at 2.7 μm in Chamaeleon I with JWST NIRCam
    J. A. Noble, H. J. Fraser, Z. L. Smith, E. Dartois, A. C. A. Boogert, H. M. Cuppen, H. J. Dickinson, F. Dulieu, E. Egami, J. Erkal, B. M. Giuliano, B. Husquinet, T. Lamberts, B. Maté, M. K. Mcclure, M. E. Palumbo, T. Shimonishi, F. Sun, J. B. Bergner, W. A. Brown, P. Caselli, E. Congiu, M. N. Drozdovskaya, V. J. Herrero, S. Ioppolo, I. Jimenez-serra, H. Linnartz, G. J. Melnick, B. A. Mcguire, K. I. Oberg, G. Perotti, D. Qasim, W. R. M. Rocha, and R. G. Urso
    Nature Astron, 8, 1169 (2024)  [doi]
35. Vibrational energy transfer in ammonia-helium collisions
    Jérôme Loreau and Ad van der Avoird
    Faraday Discuss., 251, 249 (2024)  [doi]
36. Ultracold chemistry as a testbed for few-body physics
    Tijs Karman, Michał Tomza, and Jesús Pérez-Rios
    Nature Phys., 20, 722 (2024)  [doi]
37. Hydrogen bonding in the H₂S dimer: New insights from experiment and theory
    S. Jäger, J. Khatri, P. Meyer, S. Henkel, G. Schwaab, A. Nandi, P. Pandey, K. R. Barlow, M. A. Perkins, G. S. Tschumper, J. M. Bowman, A. van der Avoird, and M. Havenith
    Nature Commun., 15, 9540 (2024)  [doi]  [pdf]
38. Nieuwe Quantumtoestand van Moleculen
    Miriam Heijmerink and Tijs Karman
    Nederlands Tijdschrift voor Natuurkunde, 90, 8 (2024)  [http://www.ntvn.nl]
39. Identifying and controlling the order parameter for ultrafast photoinduced phase transitions in thermosalient materials
    S. Ghasemlou, X. Li, D. R. Galimberti, T. Nikitin, R. Fausto, J. Xu, S. Holleman, T. Rasing, and H. M. Cuppen
    Proc. Natl. Acad. Sci. USA, 121, (2024)  [doi]
40. Identifying and controlling the order parameter for ultrafast photoinduced phase transitions in thermosalient materials
    Saba Ghasemlou, Xinyue Li, Daria R. Galimberti, Timur Nikitin, Rui Fausto, Jialiang Xu, Steven Holleman, Theo Rasing, and Herma M. Cuppen
    Proceedings of the National Academy of Sciences, 121, e2408366121 (2024)  [doi]
41. Identifying and controlling the order parameter for ultrafast photoinduced phase transitions in thermosalient materials
    S. Ghasemlou, D.R. (Daria) Galimberti, and H.M. (Herma) Cuppen
    (2024)  [doi]  [https://doi.org/10.34973/j5ax-am79]
42. Mechanism of Phase Transition in DL-Methionine: Determining Cooperative and Molecule-by-Molecule Transformations
    S. Ghasemlou and H. M. Cuppen
    ACS Omega, 9, 3229 (2024)  [doi]
43. Unveiling Low THz Dynamics of Liquid Crystals: Identification of Intermolecular Interaction among Intramolecular Modes
    Patrick Friebel, Daria Ruth Galimberti, Matteo Savoini, and Laura Cattaneo
    The Journal of Physical Chemistry B, 128, 596 (2024)  [doi]
44. BASECOL2023 scientific content
    M. L. Dubernet, C. Boursier, O. Denis-Alpizar, Y. A. Ba, N. Moreau, C. M. Zwölf, M. A. Amor, D. Babikov, N. Balakrishnan, C. Balança, M. Ben Khalifa, A. Bergeat, C. T. Bop, L. Cabrera-Conzález, C. Cárdenas, A. Chefai, P. J. Dagdigian, F. Dayou, S. Demes, B. Desrousseaux, F. Dumouchel, A. Faure, R. C. Forrey, J. Franz, R. M. García-Vázquez, F. Gianturco, A. Godard Palluet, L. González-Sánchez, G. C. Groenenboom, P. Halvick, K. Hammani, F. Khadri, Y. Kalugina, I. Kleiner, J. KŁos, F. Lique, J. Loreau, B. Mandal, B. Mant, S. Marinakis, D. Ndaw, P. Pirlot Jankowiak, T. Price, E. Quantas-Sanchez, R. Ramachandran, E. Sahnoun, C. Satander, P. C. Stancil, T. Stoecklin, J. Tennyson, F. Tonolo, R. Urzúa-Leiva, B. Yang, E. Yurtsever, and Michal Żóltowski
    Astron. & Astrophys., 683, A40 (2024)  [doi]  [pdf]
45. Perspective on the photochromic and photoconductive properties of Rare-Earth Oxyhydride thin films
    Bernard Dam, Fahimeh Nafezarefi, Diana Chaykina, Giorgio Colombi, Ziying Wu, Stephan W.H. Eijt, Shrestha Banerjee, Gilles de Wijs, and Arno Kentgens
    Solar Energy Materials and Solar Cells, 273, 112921 (2024)  [doi]  [https://www.sciencedirect.com/science/article/pii/S0927024824002332]
46. Laboratory and Computational Studies of Interstellar Ices
    H. M. Cuppen, H. Linnartz, and S. Ioppolo
    Ann. Rev. Astron. Astrophys., 62, 243 (2024)  [doi]
47. Data availability and requirements relevant for the Ariel space mission and other exoplanet atmosphere applications
    Katy L Chubb, Séverine Robert, Clara Sousa-Silva, Sergei N Yurchenko, Nicole F Allard, Vincent Boudon, Jeanna Buldyreva, Benjamin Bultel, Athena Coustenis, Aleksandra Foltynowicz, Iouli E Gordon, Robert J Hargreaves, Christiane Helling, Christian Hill, Helgi Rafn Hrodmarsson, Tijs Karman, Helena Lecoq-Molinos, Alessandra Migliorini, Michaël Rey, Cyril Richard, Ibrahim Sadiek, Frédéric Schmidt, Andrei Sokolov, Stefania Stefani, Jonathan Tennyson, Olivia Venot, Sam O M Wright, Rosa Arenales-Lope, Joanna K Barstow, Andrea Bocchieri, Nathalie Carrasco, Dwaipayan Dubey, Oleg Egorov, Antonio García Muñoz, Ehsan (Sam) Gharib-Nezhad, Leonardos Gkouvelis, Fabian Grübel, Patrick Gerard Joseph Irwin, Antonín Knížek, David A Lewis, Matt G Lodge, Sushuang Ma, Zita Martins, Karan Molaverdikhani, Giuseppe Morello, Andrei Nikitin, Emilie Panek, Miriam Rengel, Giovanna Rinaldi, Jack W Skinner, Giovanna Tinetti, Tim A van Kempen, Jingxuan Yang, and Tiziano Zingales
    RAS Techniques and Instruments, , rzae039 (2024)  [doi]   [arXiv:https://academic.oup.com/rasti/advance-article-pdf/doi/10.1093/rasti/rzae039/59204679/rzae039.pdf]
48. Observation of Bose-Einstein Condensation of Dipolar Molecules
    Niccoló Bigagli, Weijun Yuan, Siwei Zhang, Boris Bulatovic, Tijs Karman, Ian Stevenson, and Sebastian Will
    Nature, 631, 289 (2024)  [doi]  [pdf]
49. Quantum state-resolved molecular dipolar collisions over four decades of energy
    Guoqiang Tang, Matthieu Besemer, Stach Kuijpers, Gerrit C. Groenenboom, Ad van der Avoird, Tijs Karman, and Sebastiaan Y. T. van de Meerakker
    Science, 379, 1031 (2023)  [doi]   [arXiv:2302.06866]  [pdf]  [Supplement]
50. Imaging rotational energy transfer: Comparative stereodynamics in CO + N₂ and CO + CO inelastic scattering
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51. A vibrational action spectroscopic study of the Renner-Teller- and spin-orbit-affected cyanoacetylene radical cation HC₃N⁺
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52. Quantum simulator to emulate lower-dimensional molecular structure
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53. State-to-state rovibrational transition rates for CO₂ in the bend mode in collisions with He atoms
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54. Resonant infrared irradiation of CO and chCH3OH interstellar ices
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55. Spectrum of Feshbach Resonances in Na Li+ Na Collisions
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56. An Ice Age JWST inventory of dense molecular cloud ices
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57. Tomography of Feshbach resonance states
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58. Revealing the Unique Role of Water in the Formation of Benzothiazoles: an Experimental and Computational Study
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59. Revealing the Unique Role of Water in the Formation of Benzothiazoles: an Experimental and Computational Study
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60. Resonances in Non-universal Dipolar Collisions
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61. Ab initio calculation of the spectrum of Feshbach resonances in NaLi+Na collisions
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62. Unveiling the Antifouling Potential of Stabilized Poly(phosphorus ylides)
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63. Lecture: Quantum Theoretical Chemistry
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64. Simulation of solid-state phase transition in DL-methionine
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65. Disorder to order: how halide mixing in MAPbI_3-xBr_x perovskites restricts MA dynamics
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66. THz spectroscopy of thermotropic liquid crystals
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67. Intermolecular covalent interactions: nature and directionality
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68. Field-linked resonances of polar molecules
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69. Collisionally stable gas of bosonic dipolar ground-state molecules
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70. Exploring Multi-Anion Chemistry in Yttrium Oxyhydrides: Solid-State NMR Studies and DFT Calculations
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71. Parameterized model to approximate theoretical collision-induced absorption band shapes for O₂-O₂ and O₂-N₂
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72. Impact of F and S doping on (Mn,Fe)₂(P,Si) giant magnetocaloric materials
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73. Vibration-rotation-tunneling levels and spectra of Van der Waals molecules
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74. Correlated rotational excitations in NO-CO inelastic collisions
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75. Control of reactive collisions by quantum interference
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76. Efficient computational methods for rovibrational transition rates in molecular collisions
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77. Evaporation of microwave-shielded polar molecules to quantum degeneracy
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78. The He-H₃⁺ complex: II. Infrared predissociation spectrum and energy term diagram
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79. Thermal Desorption of Interstellar Ices: A Review on the Controlling Parameters and Their Implications from Snowlines to Chemical Complexity
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80. Ab initio study of the reactivity of ultracold RbSr + RbSr collisions
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81. Symmetry breaking in sticky collisions between ultracold molecules
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82. Molecular modeling, mutational analysis and steroid specificity of the ligand binding pocket of μPRα (PAQR7): Shared ligand binding with AdipoR1 and its structural basis
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83. Resonant and first-order dipolar interactions between ultracold ¹Σ molecules in static and microwave electric fields
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84. Koude moleculen met microgolven beschermd
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85. Ammonia dimer: extremely fluxional but still hydrogen bonded
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86. Infrared free-electron laser irradiation of carbon dioxide ice
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87. Methoxymethanol formation starting from CO hydrogenation
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88. The He-H₃⁺ complex: I. Vibration-rotation-tunneling states and transition probabilities
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89. Vibrational Circular Dichroism from DFT Molecular Dynamics: The AWV Method
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90. Vibrational Circular Dichroism from DFT Molecular Dynamics: The AWV Method
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91. Interfacial charge transfer and Schottky barriers at c-Si/a-In heterojunctions
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92. Mapping partial wave dynamics of low-energy NO-He rotational de-excitation collisions
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93. Energy Transfer and Restructuring in Amorphous Solid Water upon Consecutive Irradiation
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94. IRFEL Selective Irradiation of Amorphous Solid Water: from Dangling to Bulk Modes
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95. Energy, metastability, and optical properties of anion-disordered RO_xH_3-2x (R = Y, La) oxyhydrides: A computational study
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96. Many-electron dynamics in high-order harmonic generation of niobium: a time-dependent density-functional-theory study
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97. Aliovalent Calcium Doping of Yttrium Oxyhydride Thin Films and Implications for Photochromism
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98. Glory scattering in deeply inelastic molecular collisions
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99. Memorial viewpoint for Joop van Lenthe
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100. Para-ortho hydrogen conversion: solving a 90-year old mystery
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101. Laser ionisation detection of O(³P_j) atoms in the VUV; application to photodissociation of O₂
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102. Rotational spectroscopy and bound state calculations of deuterated NH₃−H₂ van der Waals complexes
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103. Quantifying the interplay between fine structure and geometry of an individual molecule on a surface
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104. Multi-channel Distorted-Wave Born approximation for rovibrational transition rates in molecular collisions
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105. Molecular Fingerprints of Hydrophobicity at Aqueous Interfaces from Theory and Vibrational Spectroscopies
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106. Magnetic anisotropy of individually addressed spin states
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107. Revealing the nature of quantum resonances by probing elastic and reactive scattering in cold collisions
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108. Resonant and first-order dipolar interactions between ultracold 1Sigma molecules in static and microwave electric fields
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109. Ab initio study of the O₃-N₂ complex: potential energy surface and rovibrational states
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110. A non-energetic mechanism for glycine formation in the interstellar medium
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111. Microscopic (Dis)order and Dynamics of Cations in Mixed FA/MA Lead Halide Perovskites
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112. Chemically Accurate Vibrational Free Energies of Adsorption from Density Functional Theory Molecular Dynamics: Alkanes in Zeolites
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113. Quantification of the Role of Chemical Desorption in Molecular Clouds
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114. Molecular Dynamics Simulations of Energy Dissipation on Amorphous Solid Water: Testing the Validity of Equipartition
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115. Comparing GIPAW with numerically exact chemical shieldings: The role of two-center contributions to the induced current
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116. Lossy quantum defect theory of ultracold molecular collisions
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117. Intermolecular dynamics of NH₃-Rg complexes in the ν₂ umbrella region of NH₃ investigated by rovibrational laser jet-cooled spectroscopy and ab initio calculations
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118. Collisions of ultracold molecules in bright and dark optical dipole traps
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119. Lithiation of the Fe₂P-based magnetocaloric materials: A first-principles study
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120. Chapter 1 - Computational screening of the magnetocaloric materials
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121. Vibrational spectroscopy of H₂He⁺ and D₂He⁺
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122. Observation of microwave shielding of ultracold molecules
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123. Collision induced spin-orbit relaxation of highly vibrationally excited NO near 1 K
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124. Resonant dipolar collisions of ultracold molecules induced by microwave dressing
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125. Quantum spin systems versus Schrödinger operators: A case study in spontaneous symmetry breaking
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126. Measurements and semi-empirical calculations of CO₂+ CH₄ and CO₂+H₂ collision-induced absorption across a wide range of wavelengths and temperatures. Application for the prediction of early Mars surface temperature
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127. Correlations in rotational energy transfer for NO-D₂ inelastic collisions
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128. Ab initio potential energy surface and microwave spectrum of the NH₃−N₂ van der Waals complex
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129. Molecular square dancing in CO-CO collisions
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130. On the mechanism of solid-state phase transitions in molecular crystals - the role of cooperative motion in (quasi)racemic linear amino acids
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131. Formation of COMs through CO hydrogenation on interstellar grains
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132. Experimental and theoretical investigation of resonances in low-energy NO-H₂ collisions
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133. Infrared Resonant Vibrationally Induced Restructuring of Amorphous Solid Water
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134. Wrapping Up Hydrophobic Hydration: Locality Matters
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135. The contribution of surfaces to the Raman spectrum of snow
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     Appl. Surf. Sci., 515, 146029 (2020)  [doi]
136. The contribution of surfaces to the Raman spectrum of snow
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137. Potential energy surface and bound states for the H₂O-HF complex
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138. Photo-excitation of long-lived transient intermediates in ultracold reactions
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139. Microwave shielding with far-from-circular polarization
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140. Controlling the nature of a charged impurity in a bath of Feshbach dimers
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141. Imaging the onset of the resonance regime in low-energy NO-He collisions
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142. Rotational-vibrational resonance states
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143. Wrapping Up Hydrophobic Hydration: Locality Matters
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     J. Phys. Chem. Lett., 11, 4809 (2020)  [doi]
144. Suppressed and enhanced tunneling ionization of transition-metal atoms and cations: A time-dependent density-funcional-theory study on nickel
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145. State-to-state scattering of highly vibrationally excited NO at broadly tunable energies: Collision dynamics in a new realm
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146. Imaging inelastic scattering of CO with Argon: polarization dependent differential cross sections
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147. Deconvolution of BIL-SFG and DL-SFG spectroscopic signals reveals order/disorder of water at the elusive aqueous silica interface
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148. Near dissociation states for He-H⁺₂ on MRCI and FCI potential energy surfaces
     Debasish Koner, Juan Carlos San Vicente Veliz, Ad van der Avoird, and Markus Meuwly
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149. Lichtabsorptie door botsende O₂-moleculen
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     Nederlands Tijdschrift voor Natuurkunde, 85, 35 (2019)  [http://www.ntvn.nl]  [pdf]
150. Microwave shielding of ultracold polar molecules with imperfectly circular polarization
     Tijs Karman and Jeremy M. Hutson
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151. Update of the HITRAN collision-induced absorption section
     Tijs Karman, Iouli E. Gordon, Ad van der Avoird, Yury I. Baranov, Christian Boulet, Brian J. Drouin, Gerrit C. Groenenboom, Magnus Gustafsson, Jean-Michel Hartmann, Robert L. Kurucz, Laurence S. Rothman, Kang Sun, Keeyoon Sung, Ryan Thalman, Ha Tran, Edward H. Wishnow, Robin Wordsworth, Andrey A. Vigasin, Rainer Volkamer, and Wim J. van der Zande
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152. Direct observation of product-pair correlations in rotationally inelastic collisions of ND₃ with D₂
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153. Conformational assignment of gas phase peptides and their H-bonded complexes using far-IR/THz: IR-UV ion dip experiment, DFT-MD spectroscopy, and graph theory for mode assignment
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     Faraday Discussions, 217, 67 (2019)  [doi]
154. Theory and simulation of spectral line broadening by exoplanetary atmospheric haze
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155. Robust thermoelastic microactuator based on an organic molecular crystal
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156. Molecular hydrophobicity at a macroscopically hydrophilic surface
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157. Molecular hydrophobicity at a macroscopically hydrophilic surface
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158. The rich solid-state phase behavior of L-Phenylalanine: disappearing polymorphs and high temperature forms
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159. DFT-MD of the (110)-Co3O4 cobalt oxide semiconductor in contact with liquid water, preliminary chemical and physical insights into the electrochemical environment
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160. Photoinduced two-body loss of ultracold molecules
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161. Six-dimensional potential energy surface for NaK-NaK collisions: Gaussian Process representation with correct asymptotic form
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162. Quasiclassical method for calculating the density of states of ultracold collision complexes
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163. Preactive Site in Ziegler-Natta Catalysts
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164. The water-carbon monoxide dimer: new infrared spectra, ab initio rovibrational energy level calculations, and an interesting intermolecular mode
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165. Differential cross sections for State-to-State collisions of NO(v = 10) in near-copropagating beams
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166. Scattering resonances in bimolecular collisions between NO radicals and H₂ challenge the theoretical gold standard
     Sjoerd N. Vogels, Tijs Karman, Jacek Kłos, Matthieu Besemer, Jolijn Onvlee, Ad van der Avoird, Gerrit C. Groenenboom, and Sebastiaan Y. T. van de Meerakker
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167. Cold collisions in a molecular synchrotron
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168. Quantum effects in small molecular systems; Concluding remarks
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169. Ab initio potential and rotational spectra of the CO-N₂ complex
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170. The Rich Solid-State Phase Behavior of DL-Aminoheptanoic Acid: Five Polymorphic Forms and Their Phase Transitions
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171. Inhibition of the vapour-mediated phase transition of the high temperature form of pyrazinamide
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172. Combining ab-initio and classical molecular dynamics simulations to unravel the structure of the 2D-HB-network at the air-water interface
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173. THz Generation and Detection by Fluorenone Based Organic Crystals
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174. What the Diffuse Layer (DL) Reveals in Non-Linear SFG Spectroscopy
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175. Structural definition of the BIL and DL: a new universal methodology to rationalize non-linear chi((2))(omega) SFG signals at charged interfaces, including chi((3))(omega) contributions
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176. Energy dependent parity-pair behavior in NO + He collisions
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177. Characterization of methanol as a magnetic field tracer in star-forming regions
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178. Erratum: “Hyperfine interactions and internal rotation in methanol” [J. Chem. Phys. 145, 244301 (2016)]
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179. O₂-O₂ and O₂-N₂ collision-induced absorption mechanisms unravelled
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     Nature Chem., 10, 549 (2018)  [doi]  [https://rdcu.be/K2fO]  [pdf]  [Supplement]
180. Microwave shielding of ultracold polar molecules
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     Phys. Rev. Lett., 121, 163401 (2018)  [doi]  [pdf]
181. Near-threshold bound states of the dipole-dipole interaction
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182. Collision-induced absorption by oxygen and nitrogen molecules
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183. Diabatic states, nonadiabatic coupling, and the counterpoise procedure for weakly interacting open-shell molecules
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184. Imaging the inelastic scattering of vibrationally excited NO (v = 1) with Ar
     Alexander Kamasah, Hongwei Li, Jolijn Onvlee, Ad van der Avoird, David H. Parker, and Arthur G. Suits
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185. Interaction of H₂O with CO: potential energy surface, bound states and scattering calculations
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186. Observation of correlated excitations in bimolecular collisions
     Zhi Gao, Tijs Karman, Sjoerd N. Vogels, Matthieu Besemer, Ad van der Avoird, Gerrit C. Groenenboom, and Sebastiaan Y. T. van de Meerakker
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187. Correlated energy transfer in rotationally and spin-orbit inelastic collisions of NO(X,²Π_1/2,j=1/2 f) with O₂(³Σ_g^-)
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188. Molecular dynamics simulations of energy dissipation and non-thermal diffusion on amorphous solid water
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189. Influence of argon and D2 tagging on the hydrogen bond network in Cs+(H2O)3; kinetic trapping below 40 K
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190. Rovibrational laser jet-cooled spectroscopy of the NH₃-Ar complex in the ν₂ umbrella region of NH₃: comparison between new infrared data and an ab initio calculated spectrum
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191. QSAR-based molecular signatures of prenylated (iso)flavonoids underlying antimicrobial potency against and membrane-disruption in Gram positive and Gram negative bacteria
     Carla Araya-Cloutier, Jean-Paul Vincken, Milou G. M. van de Schans, Jos Hageman, Gijs Schaftenaar, Heidy M. W. den Bestens, and Harry Gruppen
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192. Near infrared overtone (v _OH = 2← 0) spectroscopy of Ne-H₂O clusters
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193. Nuclear spin/parity dependent spectroscopy and predissociation in v _OH = 2← 0 overtone excited Ne-H₂O clusters; theory and experiment
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194. Theoretical models of Rashba spin splitting in asymmetric SrTiO₃-based heterostructures
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195. Rotational spectroscopy of the NH₃-H₂ molecular complex
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196. Polymorphism of the quasiracemate d-2-aminobutyric acid:l-norvaline
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197. Molden 2.0: quantum chemistry meets proteins
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198. Molden 2.0: quantum chemistry meets proteins
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199. 2D H-Bond Network as the Topmost Skin to the Air-Water Interface
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200. Sensitivity Analysis of Grain Surface Chemistry to Binding Energies of Ice Species
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201. The Role of Connectivity on Electronic Properties of Lead Iodide Perovskite-Derived Compounds
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202. Role of Orbital Interactions and Activation Strain (Distortion Energies) on Reactivities in the Normal and Inverse Electron-Demand Cycloadditions of Strained and Unstrained Cycloalkenes
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203. Directly probing anisotropy in atom-molecule collisions through quantum scattering resonances
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204. Potential energy and dipole moment surfaces of the triplet states of the O₂(X³Σ_g^-)-O₂(X³Σ_g^-,a¹Δ_g,b¹Σ_g⁺) complex
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205. Line-shape theory of the X³Σ_g^-→ a¹Δ_g,b¹Σ_g⁺ transitions in O₂-O₂ collision-induced absorption
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206. Band Offsets at the Interface between Crystalline and Amorphous Silicon from First Principles
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207. The HITRAN2016 Molecular Spectroscopic Database
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208. State-to-state differential cross sections for inelastic collisions of NO radicals with para-H₂ and ortho-D₂
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209. Combining static and dynamical approaches for infrared spectra calculations of gas phase molecules and clusters
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210. Combining Static and Dynamical Approaches for Infrared Spectra Calculations of Gas Phase Molecules and Clusters
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211. Static vs dynamic DFT prediction of IR spectra of flexible molecules in the condensed phase: The (ClCF2CF (CF3) OCF2CH3) liquid as a test case
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212. Energy Dissipation and Nonthermal Diffusion on Interstellar Ice Grains
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213. Symmetry, Dynamics, and Defects in Methylammonium Lead Halide Perovskites
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214. Using a direct simulation Monte Carlo approach to model collisions in a buffer gas cell
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215. NMR shieldings from density functional perturbation theory: GIPAW versus all-electron calculations
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216. Imaging diffraction oscillations for inelastic collisions of NO radicals with He and D₂
     Tim de Jongh, Tijs Karman, Sjoerd N. Vogels, Matthieu Besemer, Jolijn Onvlee, Arthur G. Suits, James O. F. Thompson, Gerrit C. Groenenboom, Ad van der Avoird, and Sebastiaan Y. T. van de Meerakker
     J. Chem. Phys., 147, 013918 (2017)  [doi]  [pdf]  ©
217. Grain Surface Models and Data for Astrochemistry
     H. M. Cuppen, C. Walsh, T. Lamberts, D. Semenov, R. T. Garrod, E. M. Penteado, and S. Ioppolo
     Space Sci. Rev., 212, 1 (2017)  [doi]
218. Surface astrochemistry: a computational chemistry perspective
     H. M. Cuppen, A. Fredon, T. Lamberts, E. M. Penteado, M. Simons, and C. Walsh
     Proceedings the Int. Astronomical Union, 13, 293 (2017)  [doi]
219. Tunneling ionization of the ⁴F and ⁶D states of vanadium: Exchange blockade
     Xi Chu and Gerrit C. Groenenboom
     Phys. Rev. A, 96, 013421 (2017)  [doi]  [pdf]
220. S Structural basis for non-genuine phenolic acceptor substrate specificity of Streptomyces roseochromogenes prenyltransferase CIoQ from the ABBA/PT-barrel superfamily
     Carla Araya-Cloutier, Bianca Martens, Gijs Schaftenaar, Franziska Leipoldt, Harry Gruppen, and Jean-Paul Vincken
     PLOS ONE, 12, e0174665 (2017)  [doi]
221. Energy barriers and mechanisms in solid-solid polymorphic transitions exhibiting cooperative motion
     J. A. van den Ende, B. Ensing, and H. M. Cuppen
     CrystEngComm, 18, 4420 (2016)  [doi]
222. Understanding the single-crystal-to-single-crystal solid-state phase transition of DL-methionine
     M. M. H. Smets, S. J. T. Brugman, E. R. H. van Eck, P. Tinnemans, H. Meekes, and H. M. Cuppen
     CrystEngComm, 18, 9363 (2016)  [doi]
223. Stark-interference of electric and magnetic dipole transitions in the A - X band of OH
     H. Christian Schewe, Dongdong Zhang, Gerard Meijer, Robert W. Field, Boris G. Sartakov, Gerrit C. Groenenboom, Ad van der Avoird, and Nicolas Vanhaecke
     Phys. Rev. Lett., 116, 153001 (2016)  [doi]  [http://link.aps.org/doi/10.1103/PhysRevLett.116.153001]  [pdf]
224. Report on the sixth blind test of organic crystal structure prediction methods
     A. M. Reilly, R. I. Cooper, C. S. Adjiman, S. Bhattacharya, A. D. Boese, J. G. Brandenburg, P. J. Bygrave, R. Bylsma, J. E. Campbell, R. Car, D. H. Case, R. Chadha, J. C. Cole, K. Cosburn, H. M. Cuppen, F. Curtis, G. M. Day, R. A. DiStasi o Jr, A. Dzyabchenko, B. P. van Eijck, D. M. Elking, J. A. van den Ende, J. C. Facelli, M. B. Ferraro, L. Fusti-Molnar, C. Gatsiou, T. S. Gee, R. de Gelder, L. M. Ghiringhelli, H. Goto, S. Grimme, R. Guo, D. W. M. Hofmann, J. Hoja, R. K. Hylton, L. Iuzzolino, W. Jankiewicz, D. T. de Jong, J. Kendrick, N. J. J. de Klerk, H. Ko, L. N. Kuleshova, X. Li, S. Lohani, F. J. J. Leusen, A. M. Lund, J. Lv, Y. Ma, N. Marom, A. E. Masunov, P. McCabe, D. P. McMahon, H. Meekes, M. P. Metz, A. J. Misquitta, S. Mohamed, B. Monserrat, R. J. Needs, M. A. Neumann, J. Nyman, S. Obata, H. Oberhofer, A. R. Oganov, A. M. Orendt, G. I. Pagola, C. C. Pantelides, C. J. Pickard, R. Podeszwa, L. S. Price, S. L. Price, A. Pulido, M. G. Rea d, K. Reuter, E. Schneider, C. Schober, G. P. Shields, P. Singh, I. J. Sugden, K. Szalewicz, C. R. Taylor, A. Tkatche nko, M. E. Tuckerman, F. Vacarro, M. Vasileiadis, A. Vazquez-Mayagoitia, L. Vogt, Y. Wang, R. E. Watson, J. de Wijs, G. A. a nd Yang, Q. Zhu, and C. R. Groom
     Acta Cryst. B, 72, 439 (2016)  [doi]
225. Probing scattering resonances in (ultra)cold inelastic NO-He collisions
     Jolijn Onvlee, Ad van der Avoird, Gerrit C. Groenenboom, and Sebastiaan Y. T. van de Meerakker
     J. Phys. Chem. A, 120, 4770 (2016)  [doi]  [pdf]
226. Imaging quantum stereodynamics through Fraunhofer scattering of NO radicals with rare gas atoms
     Jolijn Onvlee, Sean D. S. Gordon, Sjoerd N. Vogels, Thomas Auth, Tijs Karman, Bethan Nichols, Ad van der Avoird, Gerrit C. Groenenboom, Mark Brouard, and Sebastiaan Y. T. van de Meerakker
     Nature Chem., 9, 226 (2016)  [doi]  [pdf]  [Supplement]
227. Hyperfine interactions and internal rotation in methanol
     Boy Lankhaar, Gerrit C. Groenenboom, and Ad van der Avoird
     J. Chem. Phys., 145, 244301 (2016)  [doi]  [pdf]  [Supplement]  ©
228. Low-temperature chemistry between water and hydroxyl radicals: H/D isotopic effects
     T. Lamberts, G. Fedoseev, F. Puletti, S. Ioppolo, H. M. Cuppen, and H. Linnartz
     Mon. Not. R. Astron. Soc., 455, 634 (2016)  [doi]
229. Communication: Multiple-property-based diabatization for open-shell van der Waals molecules
     Tijs Karman, Ad van der Avoird, and Gerrit C. Groenenboom
     J. Chem. Phys., 144, 121101 (2016)  [doi]  [pdf]  ©
230. A multi-nuclear magnetic resonance and density functional theory investigation of epitaxially grown InGaP₂
     Knijn P. J., van Bentum P. J. M., Fang C. M., Bauhuis G. J., de Wijs G. A., and Kentgens A. P. M.
     Phys. Chem. Chem. Phys., 18, 21296 (2016)  [doi]
231. Intermolecular modulation of IR intensities in the solid state. The role of weak interactions in polyethylene crystal: A computational DFT study
     Daria Galimberti, Alberto Milani, Lorenzo Maschio, and Chiara Castiglioni
     The Journal of Chemical Physics, 145, 144901 (2016)
232. q-GRID: A New Method To Calculate Lattice and Interaction Energies for Molecular Crystals from Electron Densities
     N. J. J. de Klerk, J. A. van den Ende, R. Bylsma, P. Grančič, G. A. de Wijs, H. M. Cuppen, and H. Meekes
     Cryst. Growth Des., 16, 662 (2016)  [doi]
233. Time-dependent density-functional-theory study of the suppressed tunneling ionization of vanadium
     Xi Chu and Gerrit C. Groenenboom
     Phys. Rev. A, 94, 053417 (2016)  [doi]  [pdf]
234. Contributions of inner valence molecular orbitals and multiphoton resonances to high-order-harmonic generation of N₂: A time-dependent density-functional-theory study
     Xi Chu and Gerrit C. Groenenboom
     Phys. Rev. A, 93, 013422 (2016)  [doi]  [pdf]
235. Structural Studies of Polyaramid Fibers: Solid-State NMR and First-Principles Modeling
     J. Ole Brauckmann, Pegah Zolfaghari, Rene Verhoef, Enno A. Klop, Gilles A. de Wijs, and Arno P. M. Kentgens
     Macromolecules, 49, 5548 (2016)  [doi]
236. Vibration-rotation-tunneling levels of the water dimer from an ab initio potential surface with flexible monomers
     C. Leforestier, R. van Harrevelt, and A. van der Avoird
     J. Phys. Chem. A, 113, 12285 (2009)  [doi]

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