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Browsing by Author "Cuppen, H.M."
Now showing items 1-50 of 59
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Molecular dynamics simulations of energy dissipation and non-thermal diffusion on amorphous solid water Fredon, A.; Cuppen, H.M.2018, Article / Letter to editor (PCCP Physical Chemistry Chemical Physics, vol. 20, iss. 8, (2018), pp. 5569-5577) -
Inhibition of the Vapor-Mediated Phase Transition of the High Temperature Form of Pyrazinamide Smets, M.M.H.; Baaklini, G.; Tijink, A.; Sweers, L.; Vossen, C.H.F.; Brandel, C.; Meekes, Hugo ; Cuppen, H.M. ; Coquerel, G.2018, Article / Letter to editor (Crystal Growth & Design, vol. 18, iss. 2, (2018), pp. 1109-1116)
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Grain Surface Models and Data for Astrochemistry Cuppen, H.M. ; Walsh, C.; Lamberts, T.; Semenov, D.; Garrod, R.; Monfardini Penteado, E.; Ioppolo, S.2017, Article / Letter to editor (Space Science Reviews, vol. 212, iss. 1, (2017), pp. 1-58) -
Polymorphism of the quasiracemate D-2-aminobutyric acid: L-norvaline Smets, M.M.H.; Kalkman, E.; Tinnemans, P.T.; Krieger, A.M.; Meekes, H.L.M. ; Cuppen, H.M.2017, Article / Letter to editor (CrystEngComm, vol. 19, iss. 37, (2017), pp. 5604-5610)
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Energy Dissipation and Nonthermal Diffusion on Interstellar Ice Grains Fredon, A.; Lamberts, T.; Cuppen, H.M.2017, Article / Letter to editor (The Astrophysical Journal, vol. 849, iss. 2, (2017), pp. 1-16)
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Sensitivity analysis of grain surface chemistry to binding energies of ice species Penteado, E.M.; Walsh, C.; Cuppen, H.M.2017, Article / Letter to editor (The Astrophysical Journal, vol. 844, iss. 1, (2017), pp. 1-13, article 71)
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Energy barriers and mechanisms in solid-solid polymorphic transitions exhibiting cooperative motion Ende, J.A. van den; Ensing, B.; Cuppen, H.M.2016, Article / Letter to editor (CrystEngComm, (2016)) -
Low-temperature chemistry between water and hydroxyl radicals: H/D isotopic effects Lamberts, T.; Fedoseev, G.; Puletti, F.; Ioppolo, S.; Cuppen, H.M. ; Linnartz, H.2016, Article / Letter to editor (Monthly Notices of the Royal Astronomical Society, vol. 455, iss. 1, (2016), pp. 634-641)
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Report on the sixth blind test of organic crystal structure prediction methods Reilly, A.M.; Cooper, R.I.; Adjiman, C.S.; Bhattacharya, S.; Boese, A.D.; Brandenburg, J.G.; Bygrave, P.J.; Bylsma, R.; Campbell, J.E.; Car, R.; Case, D.H.; Chadha, R.; Cole, J.C.; Cosburn, K.; Cuppen, H.M. ; Curtis, F.; Day, G.M.; DiStasio, R.A.; Dzyabchenko, A.; van Eijck, B.P.; Elking, D.M.; Ende, J.A. van den; Facelli, J.C.; Ferraro, M.B.; Fusti-Molnar, L.; Gatsiou, C.A.; Gee, T.S.; Gelder, R. de ; Ghiringhelli, L.M.; Goto, H.; Grimme, S.; Guo, R.; Hofmann, D.W.M.; Hoja, J.; Hylton, R.K.; Iuzzolino, L.; Jankiewicz, W.; de Jong, D.T.; Kendrick, J.; de Klerk, N.J.J.; Ko, H.Y.; Kuleshova, L.N.; Li, X.Y.; Lohani, S.; Leusen, F.J.J.; Lund, A.M.; Lv, J.; Ma, Y.M.; Marom, N.; Masunov, A.E.; McCabe, P.; McMahon, D.P.; Meekes, H.L.M. ; Metz, M.P.; Misquitta, A.J.; Mohamed, S.; Monserrat, B.; Needs, R.J.; Neumann, M.A.; Nyman, J.; Obata, S.; Oberhofer, H.; Oganov, A.R.; Orendt, A.M.; Pagola, G.I.; Pantelides, C.C.; Pickard, C.J.; Podeszwa, R.; Price, L.S.; Price, S.L.; Pulido, A.; Read, M.G.; Reuter, K.; Schneider, E.; Schober, C.; Shields, G.P.; Singh, P.; Sugden, I.J.; Szalewicz, K.; Taylor, C.R.; Tkatchenko, A.; Tuckerman, M.E.; Vacarro, F.; Vasileiadis, M.; Vazquez-Mayagoitia, A.; Vogt, L.; Wang, Y.C.; Watson, R.E.; de Wijs, G.A. ; Yang, J.; Zhu, Q.; Groom, C.R. et al.2016, Article / Letter to editor (Acta Crystallographica, Section B - Structural Science, Crystal Engineering and Materials, vol. 72, (2016), pp. 439-459)
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q-GRID: A New Method To Calculate Lattice and Interaction Energies for Molecular Crystals from Electron Densities Klerk, N.J.J. de; Ende, J.A. van den; Bylsma, R.; Grancic, P.; de Wijs, G.A. ; Cuppen, H.M. ; Meekes, H.L.M.2016, Article / Letter to editor (Crystal Growth & Design, vol. 16, iss. 2, (2016), pp. 662-671)
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Understanding the single-crystal-to-single-crystal solid-state phase transition of DL-methionine Smets, M.M.H.; Brugman, S.J.T.; Eck, E.R.H. van ; Tinnemans, P.T.; Meekes, H.L.M. ; Cuppen, H.M.2016, Article / Letter to editor (CrystEngComm, vol. 18, iss. 48, (2016), pp. 9363-9373)
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Experimental evidence for glycolaldehyde and ethylene glycol formation by surface hydrogenation of co molecules under dense molecular cloud conditions Fedoseev, G.; Cuppen, H.M. ; Ioppolo, S.; Lamberts, T.; Linnartz, H.2015, Article / Letter to editor (Monthly Notices of the Royal Astronomical Society, vol. 448, iss. 2, (2015), pp. 1288-1297)
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A method distinguishing between guest molecules that can form sI, sII, and sH hydrogen clathrates Atamas, A.A.; Leeuw, S.W. de; Cuppen, H.M.2015, Article / Letter to editor (Rsc Advances, vol. 5, iss. 33, (2015), pp. 26376-26382)
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Evaluation of All-Atom Force Fields for Anthracene Crystal Growth Grancic, P.; Bylsma, R.; Meekes, H.L.M. ; Cuppen, H.M.2015, Article / Letter to editor (Crystal Growth & Design, vol. 15, iss. 4, (2015), pp. 1625-1633)
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Thermal H/D exchange in polar ice - deuteron scrambling in space Lamberts, T.; Ioppolo, S.; Cuppen, H.M. ; Fedoseev, G.; Linnartz, H.2015, Article / Letter to editor (Monthly Notices of the Royal Astronomical Society, vol. 448, iss. 4, (2015), pp. 3820-3828)
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Spectroscopic constraints on CH3OH formation: CO mixed with CH3OH ices towards young stellar objects Penteado, E.M.; Boogert, A.C.A.; Pontoppidan, K.M.; Ioppolo, S.; Blake, G.A.; Cuppen, H.M.2015, Article / Letter to editor (Monthly Notices of the Royal Astronomical Society, vol. 454, iss. 1, (2015), pp. 531-540)
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Understanding the Solid-State Phase Transitions of DL-Norleucine: An in Situ DSC, Microscopy, and Solid-State NMR Study Smets, M.M.H.; Brugman, S.J.T.; Eck, E.R.H. van ; Ende, J.A. van den; Meekes, H.L.M. ; Cuppen, H.M.2015, Article / Letter to editor (Crystal Growth & Design, vol. 15, iss. 10, (2015), pp. 5157-5167)
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CO DIFFUSION INTO AMORPHOUS H2O ICES Lauck, T.; Karssemeijer, L.J. ; Shulenberger, K.; Rajappan, M.; Oberg, K.I.; Cuppen, H.M.2015, Article / Letter to editor (The Astrophysical Journal, vol. 801, iss. 2, (2015), article 118)
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Long-Time-Scale Simulations of H2O Admolecule Diffusion on Ice Ih(0001) Surfaces Pedersen, A.; Karssemeijer, L.J. ; Cuppen, H.M. ; Jonsson, H.2015, Article / Letter to editor (Journal of Physical Chemistry C, vol. 119, iss. 29, (2015), pp. 16528-16536)
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Do solid-to-solid polymorphic transitions in DL-norleucine proceed through nucleation? Ende, J.A. van den; Smets, M.M.H.; Jong, D.T. de; Brugman, S.J.T.; Ensing, B.; Tinnemans, P.T.; Meekes, H.L.M. ; Cuppen, H.M.2015, Article / Letter to editor (Faraday Discussions, vol. 179, (2015), pp. 421-436)
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Free energy calculations for identifying efficient promoter molecules of binary sh hydrogen clathrates Atamas, A.A.; Koudriachova, M.V.; Leeuw, S.W. de; Cuppen, H.M.2014, Article / Letter to editor (Journal of Physical Chemistry C, vol. 118, iss. 38, (2014), pp. 22211-22220)
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Upper limits to interstellar nh+ and para-nh2- abundances herschel-hifi observations towards sgr b2 (m) and g10.6-0.4 (w31c) Persson, C.M.; Hajigholi, M.; Hassel, G.E.; Olofsson, A.O.H.; Black, J.H.; Herbst, E.; Muller, H.S.P.; Cernicharo, J.; Wirstrom, E.S.; Olberg, M.; Hjalmarson, A.; Lis, D.C.; Cuppen, H.M. ; Gerin, M.; Menten, K.M. et al.2014, Article / Letter to editor (Astronomy and Astrophysics, vol. 567, (2014))
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Relevance of the h-2 + o reaction pathway for the surface formation of interstellar water combined experimental and modeling study Lamberts, T.; Cuppen, H.M. ; Fedoseev, G.; Ioppolo, S.; Chuang, K.J.; Linnartz, H.2014, Article / Letter to editor (Astronomy and Astrophysics, vol. 570, (2014))
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Kinetic monte carlo simulations of interstellar grain surface chemistry Cuppen, H.M. ; Lamberts, T.; Vries, X. de2014, Article / Letter to editor (Abstract of Papers of the American Chemical Society, vol. 247, (2014))
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Surface formation of water in interstellar ice analogs Lamberts, T.; Ioppolo, S.; Cuppen, H.M. ; Fedoseev, G.; Puletti, F.; Linnartz, H.2014, Article / Letter to editor (Abstract of Papers of the American Chemical Society, vol. 247, (2014))
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Modelling the chemical evolution of molecular clouds as a function of metallicity Penteado, E.M.; Cuppen, H.M. ; Rocha-Pinto, H.J.2014, Article / Letter to editor (Monthly Notices of the Royal Astronomical Society, vol. 439, iss. 4, (2014), pp. 3616-3629)
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Dynamics of co in amorphous water-ice environments Karssemeijer, L.J. ; Ioppolo, S.; Hemert, M.C. van; Avoird, A. van der ; Allodi, M.A.; Blake, G.A.; Cuppen, H.M.2014, Article / Letter to editor (The Astrophysical Journal, vol. 781, iss. 1, (2014))
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Interactions of adsorbed co2 on water ice at low temperatures 2014, Article / Letter to editor (PCCP Physical Chemistry Chemical Physics, vol. 16, iss. 29, (2014), pp. 15630-15639)
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Diffusion-desorption ratio of adsorbed co and co2 on water ice (research note) 2014, Article / Letter to editor (Astronomy and Astrophysics, vol. 569, (2014))
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The formation of ice mantles on interstellar grains revisited - the effect of exothermicity Lamberts, T.; Vries, X. de; Cuppen, H.M.2014, Article / Letter to editor (Faraday Discussions, vol. 168, (2014), pp. 327-347)
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Water formation at low temperatures by surface O-2 hydrogenation III: Monte Carlo simulation Lamberts, T.; Cuppen, H.M. ; Ioppolow, S.; Linnartz, H.2013, Article / Letter to editor (PCCP Physical Chemistry Chemical Physics, vol. 15, iss. 21, (2013), pp. 8287-8302)
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Monte Carlo Calculations of the Free Energy of Binary SII Hydrogen Clathrate Hydrates for Identifying Efficient Promoter Molecules Atamas, A.A.; Cuppen, H.M. ; Koudriachova, M.V.; Leeuw, S.W. de2013, Article / Letter to editor (Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces and Biophysical, vol. 117, iss. 4, (2013), pp. 1155-1165)
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Astrochemistry: Synthesis and modelling Wakelam, V.; Cuppen, H.M. ; Herbst, E.2013, Part of book or chapter of book (Smith, I.W.M.; Cockell, C.S.; Leach, S. (ed.), Astrochemistry and astrobiology, pp. 115-143)
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The kinetic monte carlo method as a way to solve the master equation for interstellar grain chemistry Cuppen, H.M. ; Karssemeijer, L.J. ; Lamberts, T.2013, Article / Letter to editor (Chemical Reviews, vol. 113, iss. 12, (2013), pp. 8840-8871)
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No ice hydrogenation: A solid pathway to formation in space Congiu, E.; Fedoseev, G.; Ioppolo, S.; Dulieu, F.; Chaabouni, H.; Baouche, S.; Lemaire, J.L.; Laffon, C.; Parent, P.; Lamberts, T.; Cuppen, H.M. ; Linnartz, H. et al.2012, Article / Letter to editor (Astrophysical Journal Letters, vol. 750, iss. 1, (2012))
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Efficient surface formation route of interstellar hydroxylamine through no hydrogenation. Ii. The multilayer regime in interstellar relevant ices Fedoseev, G.; Ioppolo, S.; Lamberts, T.; Zhen, J.F.; Cuppen, H.M. ; Linnartz, H.2012, Article / Letter to editor (Journal of Chemical Physics, vol. 137, iss. 5, (2012))
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Long-timescale simulations of diffusion in molecular solids Karssemeijer, L.J. ; Pedersen, A.; Jonsson, H.; Cuppen, H.M.2012, Article / Letter to editor (PCCP Physical Chemistry Chemical Physics, vol. 14, iss. 31, (2012), pp. 10844-10852)
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Modelling of surface chemistry on an inhomogeneous interstellar grain Cuppen, H.M. ; Garrod, R.T.2011, Article / Letter to editor (Astronomy and Astrophysics, vol. 529, (2011))
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Molecular dynamics simulations of d(2)o ice photodesorption Arasa, C.; Andersson, S.; Cuppen, H.M. ; Dishoeck, E.F. van; Kroes, G.J.2011, Article / Letter to editor (Journal of Chemical Physics, vol. 134, iss. 16, (2011))
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Surface formation of co(2) ice at low temperatures Ioppolo, S.; Boheemen, Y. van; Cuppen, H.M. ; Dishoeck, E.F. van; Linnartz, H.2011, Article / Letter to editor (Monthly Notices of the Royal Astronomical Society, vol. 413, iss. 3, (2011), pp. 2281-2287)
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Co ice mixed with ch3oh: The answer to the non-detection of the 2152 cm-1 band? Cuppen, H.M. ; Penteado, E.M.; Isokoski, K.; Marel, N. van der; Linnartz, H.2011, Article / Letter to editor (Monthly Notices of the Royal Astronomical Society, vol. 417, iss. 4, (2011), pp. 2809-2816)
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Laboratory h(2)o:Co(2) ice desorption data: Entrapment dependencies and its parameterization with an extended three-phase model Fayolle, E.C.; Oberg, K.I.; Cuppen, H.M. ; Visser, R.; Linnartz, H.2011, Article / Letter to editor (Astronomy and Astrophysics, vol. 529, (2011))
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Surface formation of hcooh at low temperature Ioppolo, S.; Cuppen, H.M. ; Dishoeck, E.F. van; Linnartz, H.2011, Article / Letter to editor (Monthly Notices of the Royal Astronomical Society, vol. 410, iss. 2, (2011), pp. 1089-1095)
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Surface formation routes of interstellar molecules: Hydrogenation reactions in simple ices Ioppolo, S.; Cuppen, H.M. ; Linnartz, H.2011, Article / Letter to editor (Rendiconti Lincei-Scienze Fisiche e Naturali, vol. 22, iss. 3, (2011), pp. 211-224)
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Water formation by surface o(3) hydrogenation Romanzin, C.; Ioppolo, S.; Cuppen, H.M. ; Dishoeck, E.F. van; Linnartz, H.2011, Article / Letter to editor (Journal of Chemical Physics, vol. 134, iss. 8, (2011))
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Photochemistry of polycyclic aromatic hydrocarbons in cosmic water ice ii. Near uv/vis spectroscopy and ionization rates Bouwman, J.; Cuppen, H.M. ; Steglich, M.; Allamandola, L.J.; Linnartz, H.2011, Article / Letter to editor (Astronomy and Astrophysics, vol. 529, (2011))
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Steps on surfaces in modeling crystal growth 2007, Article / Letter to editor (Crystal Growth & Design, vol. 7, iss. 10, (2007), pp. 1936-1942)
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Birth-and-spread growth on the Kossel and a non-Kossel surface 2006, Article / Letter to editor (Journal of Crystal Growth, vol. 286, iss. 1, (2006), pp. 188-196)
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Crystal structure and growth behavior of aspartame form I-A Cuppen, H.M. ; Beurskens, G.; Kozuka, S.; Tsukamoto, K.; Smits, J.M.M.; Gelder, R. de ; Grimbergen, R.F.P. ; Meekes, H.L.M.2005, Article / Letter to editor (Crystal Growth & Design, vol. 3, iss. 3, (2005), pp. 917-923)
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