Geert-Jan Kroes - Publications

Affiliations: 
Leiden University, Leiden, Netherlands 
Area:
Theoretical Chemistry
Website:
http://theor.lic.leidenuniv.nl/people/kroes

252 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2021 Gerrits N, Geweke J, Auerbach DJ, Beck RD, Kroes GJ. Highly Efficient Activation of HCl Dissociation on Au(111) via Rotational Preexcitation. The Journal of Physical Chemistry Letters. 7252-7260. PMID 34313445 DOI: 10.1021/acs.jpclett.1c02093  1
2021 Smeets EWF, Kroes GJ. Performance of Made Simple Meta-GGA Functionals with rVV10 Nonlocal Correlation for H + Cu(111), D + Ag(111), H + Au(111), and D + Pt(111). The Journal of Physical Chemistry. C, Nanomaterials and Interfaces. 125: 8993-9010. PMID 34084265 DOI: 10.1021/acs.jpcc.0c11034  1
2021 Kroes GJ. Computational approaches to dissociative chemisorption on metals: towards chemical accuracy. Physical Chemistry Chemical Physics : Pccp. 23: 8962-9048. PMID 33885053 DOI: 10.1039/d1cp00044f  0.01
2020 Powell AD, Kroes GJ, Doblhoff-Dier K. Quantum Monte Carlo calculations on dissociative chemisorption of H + Al(110): Minimum barrier heights and their comparison to DFT values. The Journal of Chemical Physics. 153: 224701. PMID 33317284 DOI: 10.1063/5.0022919  0.01
2020 Gerrits N, Smeets EWF, Vuckovic S, Powell AD, Doblhoff-Dier K, Kroes GJ. Density Functional Theory for Molecule-Metal Surface Reactions: When Does the Generalized Gradient Approximation Get It Right, and What to Do If It Does Not. The Journal of Physical Chemistry Letters. 10552-10560. PMID 33295770 DOI: 10.1021/acs.jpclett.0c02452  1
2020 Smeets EWF, Kroes GJ. Designing new SRP density functionals including non-local vdW-DF2 correlation for H + Cu(111) and their transferability to H + Ag(111), Au(111) and Pt(111). Physical Chemistry Chemical Physics : Pccp. PMID 33291129 DOI: 10.1039/d0cp05173j  1
2020 Gerrits N, Geweke J, Smeets EWF, Voss J, Wodtke AM, Kroes G. Closing the Gap Between Experiment and Theory: ReactiveScattering of HCl from Au(111) Journal of Physical Chemistry C. 124: 15944-15960. DOI: 10.1021/Acs.Jpcc.0C03756  1
2019 Smeets EWF, Füchsel G, Kroes GJ. Correction to "Quantum Dynamics of Dissociative Chemisorption of H on the Stepped Cu(211) Surface″. The Journal of Physical Chemistry. C, Nanomaterials and Interfaces. 123: 31295. PMID 31897267 DOI: 10.1021/Acs.Jpcc.9B11115  1
2019 Gerrits N, Chadwick H, Kroes GJ. Dynamical Study of the Dissociative Chemisorption of CHD on Pd(111). The Journal of Physical Chemistry. C, Nanomaterials and Interfaces. 123: 24013-24023. PMID 31602282 DOI: 10.1021/Acs.Jpcc.9B05757  1
2019 Smeets EWF, Füchsel G, Kroes GJ. Quantum Dynamics of Dissociative Chemisorption of H on the Stepped Cu(211) Surface. The Journal of Physical Chemistry. C, Nanomaterials and Interfaces. 123: 23049-23063. PMID 31565113 DOI: 10.1021/Acs.Jpcc.9B06539  1
2019 Smeets EWF, Voss J, Kroes GJ. Specific Reaction Parameter Density Functional Based on the Meta-Generalized Gradient Approximation: Application to H + Cu(111) and H + Ag(111). The Journal of Physical Chemistry. A. PMID 31149824 DOI: 10.1021/Acs.Jpca.9B02914  1
2019 Spiering P, Shakouri K, Behler J, Kroes GJ, Meyer J. Orbital-Dependent Electronic Friction Significantly Affects the Description of Reactive Scattering of N from Ru(0001). The Journal of Physical Chemistry Letters. PMID 31088059 DOI: 10.1021/Acs.Jpclett.9B00523  0.01
2019 Ghassemi EN, Somers MF, Kroes GJ. Assessment of Two Problems of Specific Reaction Parameter Density Functional Theory: Sticking and Diffraction of H on Pt(111). The Journal of Physical Chemistry. C, Nanomaterials and Interfaces. 123: 10406-10418. PMID 31049122 DOI: 10.1021/Acs.Jpcc.9B00981  1
2019 Chadwick H, Gutiérrez-González A, Beck RD, Kroes GJ. Transferability of the SRP32-vdW specific reaction parameter functional to CHD dissociation on Pt(110)-(2 × 1). The Journal of Chemical Physics. 150: 124702. PMID 30927879 DOI: 10.1063/1.5081005  1
2019 Gerrits N, Shakouri K, Behler J, Kroes GJ. Accurate Probabilities for Highly Activated Reaction of Polyatomic Molecules on Surfaces Using a High-Dimensional Neural Network Potential: CHD + Cu(111). The Journal of Physical Chemistry Letters. PMID 30922058 DOI: 10.1021/Acs.Jpclett.9B00560  0.01
2019 Ghassemi EN, Smeets EWF, Somers MF, Kroes GJ, Groot IMN, Juurlink LBF, Füchsel G. Transferability of the Specific Reaction Parameter Density Functional for H + Pt(111) to H + Pt(211). The Journal of Physical Chemistry. C, Nanomaterials and Interfaces. 123: 2973-2986. PMID 30792827 DOI: 10.1021/Acs.Jpcc.8B11018  1
2019 Füchsel G, Zhou X, Jiang B, Juaristi JI, Alducin M, Guo H, Kroes GJ. Reactive and Nonreactive Scattering of HCl from Au(111): An Ab Initio Molecular Dynamics Study. The Journal of Physical Chemistry. C, Nanomaterials and Interfaces. 123: 2287-2299. PMID 30740194 DOI: 10.1021/Acs.Jpcc.8B10686  1
2019 Migliorini D, Chadwick H, Nattino F, Gutiérrez-González A, Dombrowski E, High EA, Guo H, Utz AL, Jackson B, Beck RD, Kroes GJ. Correction to "Surface Reaction Barriometry: Methane Dissociation on Flat and Stepped Transition-Metal Surfaces". The Journal of Physical Chemistry Letters. 661-662. PMID 30698449 DOI: 10.1021/Acs.Jpclett.9B00186  1
2019 Gerrits N, Kroes GJ. An AIMD study of dissociative chemisorption of methanol on Cu(111) with implications for formaldehyde formation. The Journal of Chemical Physics. 150: 024706. PMID 30646727 DOI: 10.1063/1.5070129  0.01
2019 Gerrits N, Kroes G. Curious Mechanism of the Dissociative Chemisorption of Ammonia on Ru(0001) Journal of Physical Chemistry C. 123: 28291-28300. DOI: 10.1021/Acs.Jpcc.9B09121  0.01
2019 Chadwick H, Gutiérrez-González A, Beck RD, Kroes G. CHD3 Dissociation on the Kinked Pt(210) Surface : A Comparison of Experiment and Theory Journal of Physical Chemistry C. 123: 14530-14539. DOI: 10.1021/Acs.Jpcc.9B03051  1
2018 Migliorini D, Nattino F, Tiwari AK, Kroes GJ. HOD on Ni(111): molecular dynamics prediction of molecular beam experiments. The Journal of Chemical Physics. 149: 244706. PMID 30599742 DOI: 10.1063/1.5059357  1
2018 Gerrits N, Migliorini D, Kroes GJ. Dissociation of CHD on Cu(111), Cu(211), and single atom alloys of Cu(111). The Journal of Chemical Physics. 149: 224701. PMID 30553257 DOI: 10.1063/1.5053990  1
2018 Shakouri K, Behler J, Meyer J, Kroes GJ. Analysis of Energy Dissipation Channels in a Benchmark System of Activated Dissociation: N on Ru(0001). The Journal of Physical Chemistry. C, Nanomaterials and Interfaces. 122: 23470-23480. PMID 30364480 DOI: 10.1021/Acs.Jpcc.8B06729  0.01
2018 Nour Ghassemi E, Somers M, Kroes GJ. Test of the Transferability of the Specific Reaction Parameter Functional for H + Cu(111) to D + Ag(111). The Journal of Physical Chemistry. C, Nanomaterials and Interfaces. 122: 22939-22952. PMID 30344838 DOI: 10.1021/Acs.Jpcc.8B05658  0.01
2018 Chadwick H, Gutiérrez-González A, Migliorini D, Beck RD, Kroes GJ. Incident Angle Dependence of CHD Dissociation on the Stepped Pt(211) Surface. The Journal of Physical Chemistry. C, Nanomaterials and Interfaces. 122: 19652-19660. PMID 30197724 DOI: 10.1021/Acs.Jpcc.8B05887  1
2018 Migliorini D, Chadwick H, Kroes GJ. Methane on a stepped surface: Dynamical insights on the dissociation of CHD on Pt(111) and Pt(211). The Journal of Chemical Physics. 149: 094701. PMID 30195319 DOI: 10.1063/1.5046065  1
2018 Chadwick H, Migliorini D, Kroes GJ. CHD dissociation on Pt(111): A comparison of the reaction dynamics based on the PBE functional and on a specific reaction parameter functional. The Journal of Chemical Physics. 149: 044701. PMID 30068208 DOI: 10.1063/1.5039458  1
2018 Kroes GJ, Wijzenbroek M, Manson JR. Possible effect of static surface disorder on diffractive scattering of H from Ru(0001): Comparison between theory and experiment. The Journal of Chemical Physics. 147: 244705. PMID 29289150 DOI: 10.1063/1.5011741  1
2018 Wijzenbroek M, Kroes GJ. An ab initio molecular dynamics study of D2 dissociation on CO-precovered Ru(0001). Physical Chemistry Chemical Physics : Pccp. 18: 21190-201. PMID 27140678 DOI: 10.1039/c6cp00291a  1
2018 Doblhoff-Dier K, Kroes G, Libisch F. Density functional embedding for periodic and nonperiodic diffusion Monte Carlo calculations Physical Review B. 98: 85138. DOI: 10.1103/Physrevb.98.085138  0.01
2017 Füchsel G, Cao K, Er S, Smeets EWF, Kleyn AW, Juurlink LBF, Kroes GJ. Anomalous Dependence of the Reactivity on the Presence of Steps: Dissociation of D2 on Cu(211). The Journal of Physical Chemistry Letters. 170-175. PMID 29262681 DOI: 10.1021/Acs.Jpclett.7B03097  1
2017 Zhou X, Nattino F, Zhang Y, Chen J, Kroes GJ, Guo H, Jiang B. Dissociative chemisorption of methane on Ni(111) using a chemically accurate fifteen dimensional potential energy surface. Physical Chemistry Chemical Physics : Pccp. PMID 29115358 DOI: 10.1039/C7Cp05993K  1
2017 Migliorini D, Chadwick HJ, Nattino F, Gutiérrez-Gonzáles A, Dombrowski E, High EA, Guo H, Utz AL, Jackson BE, Beck RD, Kroes GJ. Surface Reaction Barriometry: Methane Dissociation on Flat and Stepped Transition Metal Surfaces. The Journal of Physical Chemistry Letters. PMID 28817773 DOI: 10.1021/Acs.Jpclett.7B01905  1
2017 Kroes GJ, Juaristi JI, Alducin M. Vibrational Excitation of H2 Scattering from Cu(111): Effects of Surface Temperature and of Allowing Energy Exchange with the Surface. The Journal of Physical Chemistry. C, Nanomaterials and Interfaces. 121: 13617-13633. PMID 28729891 DOI: 10.1021/Acs.Jpcc.7B01096  1
2017 Doblhoff-Dier K, Meyer J, Hoggan PE, Kroes GJ. Quantum Monte Carlo Calculations on a Benchmark Molecule - Metal Surface Reaction: H2 + Cu(111). Journal of Chemical Theory and Computation. PMID 28514594 DOI: 10.1021/Acs.Jctc.7B00344  0.01
2017 Godsi O, Corem G, Alkoby Y, Cantin JT, Krems RV, Somers MF, Meyer J, Kroes GJ, Maniv T, Alexandrowicz G. A general method for controlling and resolving rotational orientation of molecules in molecule-surface collisions. Nature Communications. 8: 15357. PMID 28480890 DOI: 10.1038/Ncomms15357  1
2017 Shakouri K, Behler J, Meyer J, Kroes GJ. Accurate Neural Network Description of Surface Phonons in Reactive Gas-Surface Dynamics: N2+Ru(0001). The Journal of Physical Chemistry Letters. PMID 28441867 DOI: 10.1021/Acs.Jpclett.7B00784  0.01
2017 Ghassemi EN, Wijzenbroek M, Somers MF, Kroes G. Chemically accurate simulation of dissociative chemisorption of D 2 on Pt(1 1 1) Chemical Physics Letters. 683: 329-335. DOI: 10.1016/J.Cplett.2016.12.059  1
2016 Wijzenbroek M, Helstone D, Meyer J, Kroes GJ. Dynamics of H2 dissociation on the close-packed (111) surface of the noblest metal: H2 + Au(111). The Journal of Chemical Physics. 145: 144701. PMID 27782530 DOI: 10.1063/1.4964486  1
2016 Nattino F, Galparsoro O, Costanzo F, Díez Muiño R, Alducin M, Kroes GJ. Modeling surface motion effects in N2 dissociation on W(110): Ab initio molecular dynamics calculations and generalized Langevin oscillator model. The Journal of Chemical Physics. 144: 244708. PMID 27369534 DOI: 10.1063/1.4954773  1
2016 Nattino F, Migliorini D, Kroes GJ, Dombrowski E, High EA, Killelea DR, Utz AL. Chemically Accurate Simulation of a Polyatomic Molecule-Metal Surface Reaction. The Journal of Physical Chemistry Letters. PMID 27284787 DOI: 10.1021/Acs.Jpclett.6B01022  1
2016 Doblhoff-Dier K, Meyer J, Hoggan PE, Kroes GJ, Wagner LK. Diffusion Monte Carlo for accurate dissociation energies of 3d transition metal containing molecules. Journal of Chemical Theory and Computation. PMID 27175914 DOI: 10.1021/acs.jctc.6b00160  0.01
2016 Migliorini D, Nattino F, Kroes GJ. Application of van der Waals functionals to the calculation of dissociative adsorption of N2 on W(110) for static and dynamic systems. The Journal of Chemical Physics. 144: 084702. PMID 26931713 DOI: 10.1063/1.4942198  1
2016 Füchsel G, Thomas PS, den Uyl J, Öztürk Y, Nattino F, Meyer HD, Kroes GJ. Rotational effects on the dissociation dynamics of CHD3 on Pt(111). Physical Chemistry Chemical Physics : Pccp. PMID 26925965 DOI: 10.1039/C5Cp07898A  1
2016 Nattino F, Migliorini D, Bonfanti M, Kroes GJ. Methane dissociation on Pt(111): Searching for a specific reaction parameter density functional. The Journal of Chemical Physics. 144: 044702. PMID 26827223 DOI: 10.1063/1.4939520  1
2016 Füchsel G, Cueto Md, Díaz C, Kroes G. Enigmatic HCl + Au(111) Reaction: A Puzzle for Theory and Experiment Journal of Physical Chemistry C. 120: 25760-25779. DOI: 10.1021/Acs.Jpcc.6B07453  1
2015 Kroes GJ. Toward a Database of Chemically Accurate Barrier Heights for Reactions of Molecules with Metal Surfaces. The Journal of Physical Chemistry Letters. 6: 4106-14. PMID 26722785 DOI: 10.1021/Acs.Jpclett.5B01344  1
2015 Wijzenbroek M, Klein DM, Smits B, Somers MF, Kroes GJ. Performance of a Non-Local van der Waals Density Functional on the Dissociation of H2 on Metal Surfaces. The Journal of Physical Chemistry. A. PMID 26258988 DOI: 10.1021/Acs.Jpca.5B06008  1
2015 Kroes GJ, Díaz C. Quantum and classical dynamics of reactive scattering of H2 from metal surfaces. Chemical Society Reviews. PMID 26235525 DOI: 10.1039/C5Cs00336A  1
2015 Nattino F, Costanzo F, Kroes GJ. N2 dissociation on W(110): An ab initio molecular dynamics study on the effect of phonons. The Journal of Chemical Physics. 142: 104702. PMID 25770552 DOI: 10.1063/1.4913979  1
2015 Arasa C, Koning J, Kroes GJ, Walsh C, Van Dishoeck EF. Photodesorption of H2O, HDO, and D2O ice and its impact on fractionation Astronomy and Astrophysics. 575. DOI: 10.1051/0004-6361/201322695  1
2014 Nattino F, Ueta H, Chadwick H, van Reijzen ME, Beck RD, Jackson B, van Hemert MC, Kroes GJ. Ab Initio Molecular Dynamics Calculations versus Quantum-State-Resolved Experiments on CHD3 + Pt(111): New Insights into a Prototypical Gas-Surface Reaction. The Journal of Physical Chemistry Letters. 5: 1294-9. PMID 26269970 DOI: 10.1021/Jz500233N  1
2014 Nattino F, Genova A, Guijt M, Muzas AS, Díaz C, Auerbach DJ, Kroes GJ. Dissociation and recombination of D₂ on Cu(111): ab initio molecular dynamics calculations and improved analysis of desorption experiments. The Journal of Chemical Physics. 141: 124705. PMID 25273459 DOI: 10.1063/1.4896058  1
2014 Kroes GJ, Pavanello M, Blanco-Rey M, Alducin M, Auerbach DJ. Ab initio molecular dynamics calculations on scattering of hyperthermal H atoms from Cu(111) and Au(111). The Journal of Chemical Physics. 141: 054705. PMID 25106598 DOI: 10.1063/1.4891483  1
2014 Jackson B, Nattino F, Kroes GJ. Dissociative chemisorption of methane on metal surfaces: tests of dynamical assumptions using quantum models and ab initio molecular dynamics. The Journal of Chemical Physics. 141: 054102. PMID 25106565 DOI: 10.1063/1.4891327  1
2014 Blanco-Rey M, Juaristi JI, Díez Muiño R, Busnengo HF, Kroes GJ, Alducin M. Electronic friction dominates hydrogen hot-atom relaxation on Pd(100). Physical Review Letters. 112: 103203. PMID 24679290 DOI: 10.1103/PhysRevLett.112.103203  1
2014 Wijzenbroek M, Kroes GJ. The effect of the exchange-correlation functional on H2 dissociation on Ru(0001). The Journal of Chemical Physics. 140: 084702. PMID 24588186 DOI: 10.1063/1.4865946  1
2014 Lopez B, Lagarde S, Jaffe W, Petrov R, Schöller M, Antonelli P, Beckman U, Berio P, Bettonvil F, Graser U, Millour F, Robbe-Dubois S, Venema L, Wolf S, Bristow P, ... ... Kroes G, et al. MATISSE status report and science forecast Proceedings of Spie - the International Society For Optical Engineering. 9146. DOI: 10.1117/12.2057354  1
2014 Hugot E, Agocs T, Challita Z, Jasko A, Kroes G, Banyai E, Miller C, Taylor W, Schnetler H, Venema L. FAME: Freeform active mirrors experiment Proceedings of Spie - the International Society For Optical Engineering. 9151. DOI: 10.1117/12.2057054  1
2014 Bettonvil FCM, Kroes G, Ago?s T, Van Duin A, Elswijk E, De Haan M, Ter Horst R, Kragt J, Kuindersma J, Navarro R, Roelfsema R, Schuil M, Tromp T, Venema L, Van Kessel F, et al. Manufacturing, integration, and test results of the MATISSE cold optics bench Proceedings of Spie - the International Society For Optical Engineering. 9147. DOI: 10.1117/12.2056997  1
2014 Agócs T, Kroes G, Venema L, Hugot E, Schnetler H, Jaskó A. Freeform mirror based optical systems for FAME Proceedings of Spie - the International Society For Optical Engineering. 9151. DOI: 10.1117/12.2055402  1
2014 Challita Z, Agócs T, Hugot E, Jaskó A, Kroes G, Taylor W, Miller C, Schnetler H, Venema L, Mosoni L, Le Mignant D, Ferrari M, Cuby JG. Design and development of a freeform active mirror for an astronomy application Optical Engineering. 53. DOI: 10.1117/1.Oe.53.3.031311  1
2014 Nattino F, Ueta H, Chadwick H, Van Reijzen ME, Beck RD, Jackson B, Van Hemert MC, Kroes GJ. Ab initio molecular dynamics calculations versus quantum-state-resolved experiments on CHD3 + Pt(111): New insights into a prototypical gas-surface reaction Journal of Physical Chemistry Letters. 5: 1294-1299. DOI: 10.1021/jz500233n  1
2014 Costanzo F, Van Hemert MC, Kroes GJ. Promoting effect of carbon surfaces on H2 dissociation on Aln clusters by first principles calculations Journal of Physical Chemistry C. 118: 513-522. DOI: 10.1021/Jp410482X  1
2014 Bastiaanssen ILW, Delsing MJMH, Kroes G, Engels RCME, Veerman JW. Group care worker interventions and child problem behavior in residential youth care: Course and bidirectional associations Children and Youth Services Review. 39: 48-56. DOI: 10.1016/j.childyouth.2014.01.012  1
2014 Bastiaanssen ILW, Delsing MJMH, Geijsen L, Kroes G, Veerman JW, Engels RCME. Observations of Group Care Worker-Child Interaction in Residential Youth Care: Pedagogical Interventions and Child Behavior Child and Youth Care Forum. 43: 227-241. DOI: 10.1007/s10566-013-9231-0  1
2013 Boereboom JM, Wijzenbroek M, Somers MF, Kroes GJ. Towards a specific reaction parameter density functional for reactive scattering of H2 from Pd(111). The Journal of Chemical Physics. 139: 244707. PMID 24387388 DOI: 10.1063/1.4851355  1
2013 Mondal A, Wijzenbroek M, Bonfanti M, Díaz C, Kroes GJ. Thermal lattice expansion effect on reactive scattering of H2 from Cu(111) at T(s) = 925 K. The Journal of Physical Chemistry. A. 117: 8770-81. PMID 23763274 DOI: 10.1021/Jp4042183  1
2013 Arasa C, van Hemert MC, van Dishoeck EF, Kroes GJ. Molecular dynamics simulations of CO2 formation in interstellar ices. The Journal of Physical Chemistry. A. 117: 7064-74. PMID 23550656 DOI: 10.1021/jp400065v  1
2013 Koning J, Kroes GJ, Arasa C. Isotope effects on the photodesorption processes of X2O (X = H,D) and HOD ice. The Journal of Chemical Physics. 138: 104701. PMID 23514507 DOI: 10.1063/1.4793733  1
2013 Sementa L, Wijzenbroek M, van Kolck BJ, Somers MF, Al-Halabi A, Busnengo HF, Olsen RA, Kroes GJ, Rutkowski M, Thewes C, Kleimeier NF, Zacharias H. Reactive scattering of H2 from Cu(100): comparison of dynamics calculations based on the specific reaction parameter approach to density functional theory with experiment. The Journal of Chemical Physics. 138: 044708. PMID 23387616 DOI: 10.1063/1.4776224  1
2013 Kroes G. Die doeltreffendheid van die Afrikaanse Hoordelys en Spelreels as handleiding en naslaanbron by die onderrig van Afrikaans op terslere vlak Stellenbosch Papers in Linguistics Plus. 10. DOI: 10.5842/10-0-580  0.01
2013 Janke SM, Pavanello M, Kroes GJ, Auerbach D, Wodtke AM, Kandratsenka A. Toward detection of electron-hole pair excitation in h-atom collisions with Au(111): Adiabatic molecular dynamics with a semi-empirical full-dimensional potential energy surface Zeitschrift Fur Physikalische Chemie. 227: 1467-1490. DOI: 10.1524/Zpch.2013.0411  1
2013 Bonfanti M, Somers MF, Díaz C, Busnengo HF, Kroes GJ. 7D quantum dynamics of H2 scattering from Cu(111): The accuracy of the phonon sudden approximation Zeitschrift Fur Physikalische Chemie. 227: 1397-1420. DOI: 10.1524/zpch.2013.0405  1
2013 Pavanello M, Auerbach DJ, Wodtke AM, Blanco-Rey M, Alducin M, Kroes GJ. Adiabatic energy loss in hyperthermal h atom collisions with Cu and Au: A basis for testing the importance of nonadiabatic energy loss Journal of Physical Chemistry Letters. 4: 3735-3740. DOI: 10.1021/Jz401955R  1
2013 Marashdeh A, Casolo S, Sementa L, Zacharias H, Kroes GJ. Surface temperature effects on dissociative chemisorption of H2 on Cu(100) Journal of Physical Chemistry C. 117: 8851-8863. DOI: 10.1021/Jp401311K  1
2013 Marashdeh A, Versluis JWI, Valdés A, Olsen RA, Løvvik OM, Kroes GJ. Effect of transition metal dopants on initial mass transport in the dehydrogenation of NaAlH4: Density functional theory study Journal of Physical Chemistry C. 117: 3-14. DOI: 10.1021/Jp301199E  1
2012 Kroes GJ. Towards chemically accurate simulation of molecule-surface reactions. Physical Chemistry Chemical Physics : Pccp. 14: 14966-81. PMID 23037951 DOI: 10.1039/C2Cp42471A  1
2012 Nattino F, Díaz C, Jackson B, Kroes GJ. Effect of surface motion on the rotational quadrupole alignment parameter of D2 reacting on Cu(111). Physical Review Letters. 108: 236104. PMID 23003976 DOI: 10.1103/Physrevlett.108.236104  1
2012 Muzas AS, Juaristi JI, Alducin M, Díez Muiño R, Kroes GJ, Díaz C. Vibrational deexcitation and rotational excitation of H2 and D2 scattered from Cu(111): adiabatic versus non-adiabatic dynamics. The Journal of Chemical Physics. 137: 064707. PMID 22897302 DOI: 10.1063/1.4742907  1
2012 Thomas PS, Somers MF, Hoekstra AW, Kroes GJ. Chebyshev high-dimensional model representation (Chebyshev-HDMR) potentials: application to reactive scattering of H2 from Pt(111) and Cu(111) surfaces. Physical Chemistry Chemical Physics : Pccp. 14: 8628-43. PMID 22596090 DOI: 10.1039/C2Cp40173H  1
2012 Chen JC, Ramos M, Arasa C, Juanes-Marcos JC, Somers MF, Martínez AE, Díaz C, Olsen RA, Kroes GJ. Dynamics of H2 dissociation on the 1/2 ML c(2 × 2)-Ti/Al(100) surface. Physical Chemistry Chemical Physics : Pccp. 14: 3234-47. PMID 22294155 DOI: 10.1039/C2Cp23693A  1
2012 Valdés Á, Brillet J, Grätzel M, Gudmundsdóttir H, Hansen HA, Jónsson H, Klüpfel P, Kroes GJ, Le Formal F, Man IC, Martins RS, Nørskov JK, Rossmeisl J, Sivula K, Vojvodic A, et al. Solar hydrogen production with semiconductor metal oxides: new directions in experiment and theory. Physical Chemistry Chemical Physics : Pccp. 14: 49-70. PMID 22083224 DOI: 10.1039/C1Cp23212F  1
2012 Agócs T, Navarro R, Venema L, Kroes G. Optimizing an active extreme asphere based optical system Proceedings of Spie - the International Society For Optical Engineering. 8550. DOI: 10.1117/12.981338  1
2012 Kragt J, Tromp N, Kroes G, Jaskó A. MATISSE selection mechanism development Proceedings of Spie - the International Society For Optical Engineering. 8450. DOI: 10.1117/12.926602  1
2012 Kroes G, Jaskó A, Pragt JH, Venema L, De Haan M. A new generation active arrays for optical flexibility in astronomical instrumentation Proceedings of Spie - the International Society For Optical Engineering. 8450. DOI: 10.1117/12.926481  1
2012 Lopez B, Lagarde S, Antonelli P, Jaffe W, Petrov R, Venema L, Robbe-Dubois S, Bettonvil F, Berio P, Navarro R, Graser U, Beckman U, Weigelt G, Vakili F, Henning T, ... ... Kroes G, et al. Perspective of imaging in the mid-infrared at the Very Large Telescope Interferometer Proceedings of Spie - the International Society For Optical Engineering. 8445. DOI: 10.1117/12.926238  1
2012 Agócs T, Venema L, Korkiakoski V, Kroes G. Optimizing optical systems with active components Proceedings of Spie - the International Society For Optical Engineering. 8450. DOI: 10.1117/12.925326  1
2012 Nattino F, Díaz C, Jackson B, Kroes GJ. Effect of surface motion on the rotational quadrupole alignment parameter of D 2 reacting on Cu(111) Physical Review Letters. 108. DOI: 10.1103/PhysRevLett.108.236104  1
2012 Valdés A, Kroes GJ. Theoretical investigation of two H 2 molecules inside the cages of the structure H clathrate hydrate Journal of Physical Chemistry C. 116: 21664-21672. DOI: 10.1021/Jp305742E  1
2012 Díaz C, Martín F, Kroes GJ, Minniti M, Farías D, Miranda R. H 2 diffraction from a strained pseudomorphic monolayer of Cu deposited on ru(0001) Journal of Physical Chemistry C. 116: 13671-13678. DOI: 10.1021/jp303390x  1
2012 Bastiaanssen ILW, Kroes G, Nijhof KS, Delsing MJMH, Engels RCME, Veerman JW. Measuring Group Care Worker Interventions in Residential Youth Care Child and Youth Care Forum. 41: 447-460. DOI: 10.1007/s10566-012-9176-8  1
2011 Churchard AJ, Banach E, Borgschulte A, Caputo R, Chen JC, Clary D, Fijalkowski KJ, Geerlings H, Genova RV, Grochala W, Jaro? T, Juanes-Marcos JC, Kasemo B, Kroes GJ, Ljubi? I, et al. A multifaceted approach to hydrogen storage. Physical Chemistry Chemical Physics : Pccp. 13: 16955-72. PMID 21887432 DOI: 10.1039/C1Cp22312G  1
2011 Frankcombe TJ, Kroes GJ. A new method for screening potential sII and sH hydrogen clathrate hydrate promoters with model potentials. Physical Chemistry Chemical Physics : Pccp. 13: 13410-20. PMID 21709922 DOI: 10.1039/C0Cp02702B  1
2011 Arasa C, Andersson S, Cuppen HM, van Dishoeck EF, Kroes GJ. Molecular dynamics simulations of D2O ice photodesorption. The Journal of Chemical Physics. 134: 164503. PMID 21528969 DOI: 10.1063/1.3582910  1
2011 Nieto P, Farías D, Miranda R, Luppi M, Baerends EJ, Somers MF, van der Niet MJ, Olsen RA, Kroes GJ. Diffractive and reactive scattering of H2 from Ru(0001): experimental and theoretical study. Physical Chemistry Chemical Physics : Pccp. 13: 8583-97. PMID 21487588 DOI: 10.1039/C0Cp02425B  1
2011 Chen JC, Juanes-Marcos JC, Woittequand S, Somers MF, Díaz C, Olsen RA, Kroes GJ. Six-dimensional quasiclassical and quantum dynamics of H2 dissociation on the c(2 × 2)-Ti/Al(100) surface. The Journal of Chemical Physics. 134: 114708. PMID 21428657 DOI: 10.1063/1.3567397  1
2011 Bonfanti M, Díaz C, Somers MF, Kroes GJ. Hydrogen dissociation on Cu(111): the influence of lattice motion. Part I. Physical Chemistry Chemical Physics : Pccp. 13: 4552-61. PMID 21279192 DOI: 10.1039/C0Cp01746A  1
2011 Valdés Á, Kroes GJ. Translation-rotation energy levels of one H2 molecule inside the small, medium and large cages of the structure H clathrate hydrate. Physical Chemistry Chemical Physics : Pccp. 13: 2935-44. PMID 21165482 DOI: 10.1039/C0Cp01804J  1
2011 Kroes G. Immigration, a current phenomenon which is (not only) Italian: A lesson plan for the promotion of intercultural competency based on youth novel and also a mixed text file | Immigrazione, un attuale fenomeno (non solo) italiano: Ein Unterrichtsvorhaben zur Förderung der interkulturellen Kompetenz anhand eines Jugendromans sowie eines gemischten Textdossiers Italienisch. 127-138.  1
2010 Kroes GJ, Díaz C, Pijper E, Olsen RA, Auerbach DJ. Apparent failure of the Born-Oppenheimer static surface model for vibrational excitation of molecular hydrogen on copper. Proceedings of the National Academy of Sciences of the United States of America. 107: 20881-6. PMID 21078960 DOI: 10.1073/Pnas.1001098107  1
2010 Pino I, Kroes GJ, van Hemert MC. Hydrogen dissociation on small aluminum clusters. The Journal of Chemical Physics. 133: 184304. PMID 21073220 DOI: 10.1063/1.3502493  1
2010 Krishnamohan GP, Olsen RA, Kroes GJ, Gatti F, Woittequand S. Quantum dynamics of dissociative chemisorption of CH(4) on Ni(111): Influence of the bending vibration. The Journal of Chemical Physics. 133: 144308. PMID 20950001 DOI: 10.1063/1.3491031  1
2010 Prasanna KG, Olsen RA, Valdés A, Kroes GJ. Towards an understanding of the vibrational mode specificity for dissociative chemisorption of CH(4) on Ni(111): a 15 dimensional study. Physical Chemistry Chemical Physics : Pccp. 12: 7654-61. PMID 20532358 DOI: 10.1039/B924669J  1
2010 Díaz C, Olsen RA, Auerbach DJ, Kroes GJ. Six-dimensional dynamics study of reactive and non reactive scattering of H(2) from Cu(111) using a chemically accurate potential energy surface. Physical Chemistry Chemical Physics : Pccp. 12: 6499-519. PMID 20473432 DOI: 10.1039/c001956a  1
2010 Groot IM, Juanes-Marcos JC, Olsen RA, Kroes GJ. A theoretical study of H(2) dissociation on (sq.rt(3) x sq.rt(3))R30 degrees CO/Ru(0001). The Journal of Chemical Physics. 132: 144704. PMID 20406007 DOI: 10.1063/1.3378278  1
2010 Groot IM, Juanes-Marcos JC, Díaz C, Somers MF, Olsen RA, Kroes GJ. Dynamics of dissociative adsorption of hydrogen on a CO-precovered Ru(0001) surface: a comparison of theoretical and experimental results. Physical Chemistry Chemical Physics : Pccp. 12: 1331-40. PMID 20119611 DOI: 10.1039/B919419C  1
2010 Kroes G, Veerman JW, De Bruyn EEJ. The role of acquaintanceship in the perception of child behaviour problems European Child and Adolescent Psychiatry. 19: 371-377. PMID 19823898 DOI: 10.1007/s00787-009-0061-4  1
2010 Kroes G, Oudenhuysen A, De Haan M, Jager R, Pauwels E. MIRI-JWST spectrometer main optics flight model realization and performance test results Proceedings of Spie - the International Society For Optical Engineering. 7731. DOI: 10.1117/12.858825  1
2010 Kroes G, Ter Horst R, Kragt J, Roelfsema R, Navarro R, Venema L, Lenzen R, Rohloff RR, Durand G, Pantin E, Ronayette S, Todd S, Bennett R, Glasse A, Blommaert J, et al. METIS opto-mechanical design and packaging study Proceedings of Spie - the International Society For Optical Engineering. 7735. DOI: 10.1117/12.856988  1
2010 Tromp N, Rigal F, Elswijk E, Kroes G, Bresson Y, Navarro R. MATISSE cold optics opto-mechanical design Proceedings of Spie - the International Society For Optical Engineering. 7734. DOI: 10.1117/12.856973  1
2010 Arasa C, Andersson S, Cuppen HM, Van Dishoeck EF, Kroes GJ. Molecular dynamics simulations of the ice temperature dependence of water ice photodesorption Journal of Chemical Physics. 132. DOI: 10.1063/1.3422213  1
2010 Valdés A, Kroes GJ. Cluster Study of the photo-oxidation of water on rutile titanium dioxide (TiO2) Journal of Physical Chemistry C. 114: 1701-1708. DOI: 10.1021/jp909606r  1
2010 Díaz C, Olsen RA, Busnengo HF, Kroes GJ. Dynamics on six-dimensional potential energy surfaces for H 2/Cu(111): Corrugation reducing procedure versus modified shepard interpolation method and PW91 versus RPBE Journal of Physical Chemistry C. 114: 11192-11201. DOI: 10.1021/jp1027096  1
2009 Díaz C, Pijper E, Olsen RA, Busnengo HF, Auerbach DJ, Kroes GJ. Chemically accurate simulation of a prototypical surface reaction: H2 dissociation on Cu(111). Science (New York, N.Y.). 326: 832-4. PMID 19892978 DOI: 10.1126/science.1178722  1
2009 Valdés A, Kroes GJ. First principles study of the photo-oxidation of water on tungsten trioxide (WO3). The Journal of Chemical Physics. 130: 114701. PMID 19317549 DOI: 10.1063/1.3088845  1
2009 Chen JG, Juanes-Marcos JC, Al-Halabi A, Olsen RA, Kroes GJ. A Theoretical study of H2 reacting on Ti/Al(100) surfaces Journal of Physical Chemistry C. 113: 11027-11034. DOI: 10.1021/Jp809636J  1
2009 Kroes GJ, Van Harrevelt R, Crespos C. Reactive and Non-Reactive Scattering of Molecules from Surfaces Multidimensional Quantum Dynamics: McTdh Theory and Applications. 249-273. DOI: 10.1002/9783527627400.ch20  1
2008 Kroes GJ. Frontiers in surface scattering simulations. Science (New York, N.Y.). 321: 794-7. PMID 18687953 DOI: 10.1126/Science.1157717  1
2008 Avila G, Kroes GJ, van Hemert MC. The photodissociation of the water dimer in the A band: a twelve-dimensional quasiclassical study. The Journal of Chemical Physics. 128: 144313. PMID 18412451 DOI: 10.1063/1.2868775  1
2008 Lopez B, Antonelli P, Wolf S, Lagarde S, Jaffe W, Navarro R, Graser U, Petrov R, Weigelt G, Bresson Y, Hofmann KH, Beckman U, Henning T, Laun W, Leinert C, ... ... Kroes G, et al. MATISSE, perspective of imaging in the mid-infrared at the VLTI Proceedings of Spie - the International Society For Optical Engineering. 7013. DOI: 10.1117/12.789412  1
2008 Kroes G, Kragt Ii J, Navarro R, Elswijk E, Hanenburg H. Opto-mechanical design for transmission optics in cryogenic IR instrumentation Proceedings of Spie - the International Society For Optical Engineering. 7018. DOI: 10.1117/12.789207  1
2008 Pragt JH, Van Den Brink R, Kroes G, Tromp N, Ochs JB. Piezo-driven adjustment of a cryogenic detector Proceedings of Spie - the International Society For Optical Engineering. 7018. DOI: 10.1117/12.788396  1
2008 Valdés A, Qu ZW, Kroes GJ, Rossmeisl J, Nørskov JK. Oxidation and photo-oxidation of water on TiO2 surface Journal of Physical Chemistry C. 112: 9872-9879. DOI: 10.1021/Jp711929D  1
2008 Marashdeh A, Olsen RA, Løvvik OM, Kroes GJ. Density functional theory study of the TiH2 interaction with a NaAlH4 cluster Journal of Physical Chemistry C. 112: 15759-15764. DOI: 10.1021/Jp074797T  1
2007 Kroes GJ, Pijper E, Salin A. Dissociative chemisorption of H2 on the Cu(110) surface: a quantum and quasiclassical dynamical study. The Journal of Chemical Physics. 127: 164722. PMID 17979386 DOI: 10.1063/1.2798112  1
2007 Kroes G, Meijers M, Oudenhuysen A, Pel JW. JWST-MIRI spectrometer main optics alignment & tolerancing philosophy Proceedings of Spie - the International Society For Optical Engineering. 6676. DOI: 10.1117/12.733843  1
2007 Meijers M, Oudenhuysen A, Schoenmaker T, Kroes G, Jager R, Pauwels E. JWST-MIRI spectrometer main optics qualification and verification Proceedings of Spie - the International Society For Optical Engineering. 6692. DOI: 10.1117/12.733829  1
2007 Qu ZW, Kroes GJ. Theoretical study of stable, defect-free (TiO2)n nanoparticles with n = 10-16 Journal of Physical Chemistry C. 111: 16808-16817. DOI: 10.1021/Jp073988T  1
2007 Frankcombe TJ, Kroes GJ. Molecular dynamics simulations of type-sII hydrogen clathrate hydrate close to equilibrium conditions Journal of Physical Chemistry C. 111: 13044-13052. DOI: 10.1021/Jp071006E  1
2007 Marashdeh A, Olsen RA, Løvvik OM, Kroes GJ. NaAlH4 clusters with two titanium atoms added Journal of Physical Chemistry C. 111: 8206-8213. DOI: 10.1021/Jp067083B  1
2007 Rossmeisl J, Qu ZW, Zhu H, Kroes GJ, Nørskov JK. Electrolysis of water on oxide surfaces Journal of Electroanalytical Chemistry. 607: 83-89. DOI: 10.1016/J.Jelechem.2006.11.008  1
2007 Kroes GJ, Meyer HD. Using n-mode potentials for reactive scattering: Application to the 6D H2 + Pt(1 1 1) problem Chemical Physics Letters. 440: 334-340. DOI: 10.1016/j.cplett.2007.04.047  1
2007 Díaz C, Perrier A, Kroes GJ. Associative desorption of N2 from Ru(0 0 0 1): A computational study Chemical Physics Letters. 434: 231-236. DOI: 10.1016/j.cplett.2006.12.016  1
2006 Qu ZW, Kroes GJ. Theoretical study of adsorption of O((3)P) and H(2)O on the rutile TiO(2)(110) surface. The Journal of Physical Chemistry. B. 110: 23306-14. PMID 17107180 DOI: 10.1021/Jp065028X  1
2006 Díaz C, Vincent JK, Krishnamohan GP, Olsen RA, Kroes GJ, Honkala K, Norskov JK. Reactive and nonreactive scattering of N2 from Ru(0001): a six-dimensional adiabatic study. The Journal of Chemical Physics. 125: 114706. PMID 16999500 DOI: 10.1063/1.2229197  1
2006 Hellman A, Baerends EJ, Biczysko M, Bligaard T, Christensen CH, Clary DC, Dahl S, van Harrevelt R, Honkala K, Jonsson H, Kroes GJ, Luppi M, Manthe U, Nørskov JK, Olsen RA, et al. Predicting catalysis: understanding ammonia synthesis from first-principles calculations. The Journal of Physical Chemistry. B. 110: 17719-35. PMID 16956255 DOI: 10.1021/Jp056982H  1
2006 De Greef M, Popkema D, Kroes G, Middel E. Health-related fitness of sedentary older adults in the Netherlands | Gezondheidsgerelateerde fitheid van sedentaire senioren in Nederland Tijdschrift Voor Gerontologie En Geriatrie. 37: 103-111. PMID 16886517  1
2006 Valero R, Kroes GJ, Ekinci Y, Toennies JP. Rotational transitions and diffraction in D2 scattering from the LiF(001) surface: theory and experiment. The Journal of Chemical Physics. 124: 234707. PMID 16821941 DOI: 10.1063/1.2208361  1
2006 Qu ZW, Kroes GJ. Theoretical study of the electronic structure and stability of titanium dioxide clusters (TiO2)n with n = 1-9. The Journal of Physical Chemistry. B. 110: 8998-9007. PMID 16671707 DOI: 10.1021/Jp056607P  1
2006 Díaz C, Vincent JK, Krishnamohan GP, Olsen RA, Kroes GJ, Honkala K, Nørskov JK. Multidimensional effects on dissociation of N2 on Ru(0001). Physical Review Letters. 96: 096102. PMID 16606281 DOI: 10.1103/Physrevlett.96.096102  1
2006 Crespos C, Meyer HD, Mowrey RC, Kroes GJ. Multiconfiguration time-dependent Hartree method applied to molecular dissociation on surfaces: H2 + Pt(111). The Journal of Chemical Physics. 124: 74706. PMID 16497069 DOI: 10.1063/1.2171246  1
2006 Andersson S, Al-Halabi A, Kroes GJ, van Dishoeck EF. Molecular-dynamics study of photodissociation of water in crystalline and amorphous ices. The Journal of Chemical Physics. 124: 64715. PMID 16483237 DOI: 10.1063/1.2162901  1
2006 Nieto P, Pijper E, Barredo D, Laurent G, Olsen RA, Baerends EJ, Kroes GJ, Farías D. Reactive and nonreactive scattering of H2 from a metal surface is electronically adiabatic. Science (New York, N.Y.). 312: 86-9. PMID 16469880 DOI: 10.1126/Science.1123057  1
2006 Meijers M, Jager R, Kroes G, Leusink L, Oudenhuysen A, Pauwels E. Applied systems engineering in a small scale project 62710H Proceedings of Spie - the International Society For Optical Engineering. 6271. DOI: 10.1117/12.670228  1
2006 Rivière P, Somers MF, Kroes GJ, Martín F. Quantum dynamical study of the H2 and D2 dissociative adsorption and diffraction from the NiAl (110) alloy surface Physical Review B - Condensed Matter and Materials Physics. 73. DOI: 10.1103/PhysRevB.73.205417  1
2006 Frankcombe TJ, Kroes GJ. Quasiharmonic approximation applied to LiBH4 and its decomposition products Physical Review B - Condensed Matter and Materials Physics. 73. DOI: 10.1103/Physrevb.73.174302  1
2006 Van Dishoeck EF, Acharyya K, Al-halabi A, Andersson S, Bisschop SE, Van Broekhuizen FA, Fraser HJ, Fuchs G, Kroes GJ, Öberg KI, Schlemmer S, Linnartz H. Spectroscopy and processing of interstellar ice analogs Aip Conference Proceedings. 855: 113-121. DOI: 10.1063/1.2359546  1
2006 Al-Halabi A, Sanfelix PC, Holloway S, Kroes GJ, Darling GR. Protons colliding with ice: Bouncing, sticking, splashing Surface Science. 600: 4247-4250. DOI: 10.1016/J.Susc.2006.01.151  1
2006 Marashdeh A, Olsen RA, Løvvik OM, Kroes GJ. A density functional theory study of Ti-doped NaAlH4 clusters Chemical Physics Letters. 426: 180-186. DOI: 10.1016/J.Cplett.2006.05.098  1
2006 Frankcombe TJ, Kroes GJ. The H-D isotope effect in the stability of lithium alanate Chemical Physics Letters. 423: 102-105. DOI: 10.1016/J.Cplett.2006.03.058  1
2006 Valero R, Kroes GJ. Identifying spectator bonds in modeling reactions: OH + CO → H + CO2 Chemical Physics Letters. 417: 43-47. DOI: 10.1016/J.Cplett.2005.09.121  1
2005 Frankcombe TJ, Kroes GJ, Choly NI, Kaxiras E. Orbital-free density functional theory applied to NaAlH4. The Journal of Physical Chemistry. B. 109: 16554-62. PMID 16853104 DOI: 10.1021/Jp050191Y  1
2005 Valenzano L, van Hemert MC, Kroes GJ. Photodissociation of the water dimer: three-dimensional quantum dynamics studies on diabatic potential-energy surfaces. The Journal of Chemical Physics. 123: 34303. PMID 16080733 DOI: 10.1063/1.1961614  1
2005 Nave S, Lemoine D, Somers MF, Kingma SM, Kroes GJ. Six-dimensional quantum dynamics of (v=0,j=0)D2 and of (v=1,j=0)H2 scattering from Cu111. The Journal of Chemical Physics. 122: 214709. PMID 15974764 DOI: 10.1063/1.1902944  1
2005 Díaz C, Busnengo HF, Rivière P, Farías D, Nieto P, Somers MF, Kroes GJ, Salin A, Martín F. A classical dynamics method for H2 diffraction from metal surfaces. The Journal of Chemical Physics. 122: 154706. PMID 15945655 DOI: 10.1063/1.1878613  1
2005 Kroes G, Veerman JW, De Bruyn EEJ. The impact of the big five personality traits on reports of child behavior problems by different informants Journal of Abnormal Child Psychology. 33: 231-240. PMID 15839500 DOI: 10.1007/s10802-005-1830-2  1
2005 Sanfelix PC, Al-Halabi A, Darling GR, Holloway S, Kroes GJ. Protons colliding with crystalline ice: proton reflection and collision induced water desorption at low incidence energies. Journal of the American Chemical Society. 127: 3944-51. PMID 15771531 DOI: 10.1021/Ja040171U  1
2005 Vincent JK, Olsen RA, Kroes GJ, Luppi M, Luppi M, Baerends EJ. Six-dimensional quantum dynamics of dissociative chemisorption of H2 on Ru(0001). The Journal of Chemical Physics. 122: 44701. PMID 15740277 DOI: 10.1063/1.1834914  1
2005 Kroes GJ, Somers MF. Six-dimensional dynamics of dissociative chemisorption of H2 on metal surfaces Journal of Theoretical and Computational Chemistry. 4: 493-581. DOI: 10.1142/S0219633605001647  1
2005 Kroes G, Oudenhuysen A, Meijers M, Pel JW. MIRI-JWST spectrometer main optics opto-mechanical design and prototyping Proceedings of Spie - the International Society For Optical Engineering. 5877: 1-12. DOI: 10.1117/12.614784  1
2005 Díaz C, Somers MF, Kroes GJ, Busnengo HF, Salin A, Martín F. Quantum and classical dynamics of H2 scattering from Pd(111) at off-normal incidence Physical Review B - Condensed Matter and Materials Physics. 72. DOI: 10.1103/PhysRevB.72.035401  1
2005 Nave S, Lemoine D, Somers MF, Kingma SM, Kroes G. Publisher’s Note: “Six-dimensional quantum dynamics of (v=0,j=0)D2 and of (v=1,j=0)H2 scattering from Cu(111)” [J. Chem. Phys. 122, 214709 (2005)] Journal of Chemical Physics. 123: 79901-79901. DOI: 10.1063/1.2033787  1
2005 Kroes GJ, Andersson S. Theory of molecular scattering from and photochemistry at ice surfaces Proceedings of the International Astronomical Union. 1: 427-442. DOI: 10.1017/S1743921306007447  1
2005 Andersson S, Kroes GJ, Van Dishoeck EF. Photodissociation of water in crystalline ice: A molecular dynamics study Chemical Physics Letters. 408: 415-421. DOI: 10.1016/J.Cplett.2005.04.073  1
2005 Frankcombe TJ, Kroes GJ, Züttel A. Theoretical calculation of the energy of formation of LiBH4 Chemical Physics Letters. 405: 73-78. DOI: 10.1016/J.Cplett.2005.02.017  1
2004 Farías D, Díaz C, Rivière P, Busnengo HF, Nieto P, Somers MF, Kroes GJ, Salin A, Martín F. In-plane and out-of-plane diffraction of H(2) from metal surfaces. Physical Review Letters. 93: 246104. PMID 15697832  1
2004 Somers MF, Olsen RA, Busnengo HF, Baerends EJ, Kroes GJ. Reactive scattering of H2 from Cu(100): six-dimensional quantum dynamics results for reaction and scattering obtained with a new, accurately fitted potential-energy surface. The Journal of Chemical Physics. 121: 11379-87. PMID 15634096 DOI: 10.1063/1.1812743  1
2004 Olsen RA, Kroes GJ, Henkelman G, Arnaldsson A, Jónsson H. Comparison of methods for finding saddle points without knowledge of the final states. The Journal of Chemical Physics. 121: 9776-92. PMID 15549851 DOI: 10.1063/1.1809574  1
2004 Valero R, McCormack DA, Kroes GJ. New results for the OH (nu = 0,j = 0) + CO (nu = 0,j = 0) --> H + CO2 reaction: Five- and full-dimensional quantum dynamical study on several potential energy surfaces. The Journal of Chemical Physics. 120: 4263-72. PMID 15268595 DOI: 10.1063/1.1644101  1
2004 Al-Halabi A, van Dishoeck EF, Kroes GJ. Sticking of CO to crystalline and amorphous ice surfaces. The Journal of Chemical Physics. 120: 3358-67. PMID 15268490 DOI: 10.1063/1.1640337  1
2004 Crespos C, Collins MA, Pijper E, Kroes GJ. Application of the modified Shepard interpolation method to the determination of the potential energy surface for a molecule-surface reaction: H2 + Pt(111). The Journal of Chemical Physics. 120: 2392-404. PMID 15268379 DOI: 10.1063/1.1637337  1
2004 Gardner DO, Al-Halabi A, Kroes GJ. Efficient penetration of the basal plane (0001) face of ice Ih by HF at Ts=150 K: dependence on incidence energy, incidence angle, and rotational energy. The Journal of Chemical Physics. 120: 11796-803. PMID 15268214 DOI: 10.1063/1.1753259  1
2004 Lemke D, Hofferbert R, Grözinger U, Rohloff RR, Böhm A, Henning T, Huber A, Mertin S, Ramos J, Wright G, Hastings P, Zehnder A, Salasca S, Kroes G, Straubmeier C, et al. Positioning of optical elements in the cryogenically cooled mid infrared instrument MIRI for the James webb space telescope Proceedings of Spie - the International Society For Optical Engineering. 5495: 31-38. DOI: 10.1117/12.550398  1
2004 Farías D, Díaz C, Rivière P, Busnengo HF, Nieto P, Somers MF, Kroes GJ, Salin A, Martín F. In-plane and out-of-plane diffraction of H2 from metal surfaces Physical Review Letters. 93. DOI: 10.1103/PhysRevLett.93.246104  1
2004 Valero R, Kroes GJ. Role of CO vibration in the complex-forming OH+CO→H+CO2 reaction Physical Review a - Atomic, Molecular, and Optical Physics. 70: 040701-1-040701-4. DOI: 10.1103/Physreva.70.040701  1
2004 Al-Halabi A, Fraser HJ, Kroes GJ, Van Dishoeck EF. Adsorption of CO on amorphous water-ice surfaces Astronomy and Astrophysics. 422: 777-791. DOI: 10.1051/0004-6361:20035939  1
2004 Valero R, Kroes GJ. Theoretical reaction dynamics study of the effect of vibrational excitation of CO on the OH + CO → H + CO2 reaction Journal of Physical Chemistry A. 108: 8672-8681. DOI: 10.1021/Jp048855B  1
2004 Niel Gardner DO, Al-Halabi A, Kroes GJ. The effect of initial rotational energy on the adsorption of CO to the (0001) face of crystalline ice Ih at hyperthermal energies Journal of Physical Chemistry B. 108: 3540-3547. DOI: 10.1021/Jp031013C  1
2004 Vincent JK, Olsen RA, Kroes GJ, Baerends EJ. Dissociative chemisorption of H2 on Pt(111): Isotope effect and effects of the rotational distribution and energy dispersion Surface Science. 573: 433-445. DOI: 10.1016/J.Susc.2004.10.010  1
2004 Van Willigen RT, Somers MF, Busnengo HF, Kroes GJ. The dependence of dissociative chemisorption of H2 on Pd(1 1 1) on H2 rotation: A six-dimensional quantum dynamics study Chemical Physics Letters. 393: 166-172. DOI: 10.1016/j.cplett.2004.06.052  1
2004 Valero R, Van Hemert MC, Kroes GJ. Classical trajectory study of the HOCO system using a new interpolated ab initio potential energy surface Chemical Physics Letters. 393: 236-244. DOI: 10.1016/J.Cplett.2004.06.036  1
2004 Somers MF, Lemoine D, Kroes GJ. Performance and application of a symmetry adapted pseudo spectral method for scattering of a diatomic molecule from a square surface: H2 + Cu(1 0 0) Chemical Physics. 304: 59-77. DOI: 10.1016/j.chemphys.2004.06.011  1
2004 Crespos C, Collins MA, Pijper E, Kroes GJ. Application of the modified Shepard interpolation method to the determination of the potential energy surface for a molecule-surface reaction: H2+Pt(111) Journal of Chemical Physics. 120: 2392-2404.  1
2003 Busnengo HF, Pijper E, Kroes GJ, Salin A. Rotational effects in dissociation of H2 on Pd(111): Quantum and classical study Journal of Chemical Physics. 119: 12553-12562. DOI: 10.1063/1.1626535  1
2003 Kingma SM, Somers MF, Pijper E, Kroes GJ, Olsen RA, Baerends EJ. Diffractive and reactive scattering of (v=0, j=0) HD from Pt(111): Six-dimensional quantum dynamics compared with experiment Journal of Chemical Physics. 118: 4190-4197. DOI: 10.1063/1.1540981  1
2003 Kroes G, Veerman JW, De Bruyn EEJ. Bias in parental reports? Maternal psychopathology and the reporting of problem behavior in clinic-referred children European Journal of Psychological Assessment. 19: 195-203. DOI: 10.1027//1015-5759.19.3.195  1
2003 Al-Halabi A, Kleyn AW, Van Dishoeck EF, Van Hemert MC, Kroes GJ. Sticking of hyperthermal CO to the (0001) face of crystalline ice Journal of Physical Chemistry A. 107: 10615-10624. DOI: 10.1021/jp030374p  1
2003 Gardner DON, Al-Halabi A, Kroes GJ. Predictions on the effect of initial molecular orientation and rotation on penetration of the (0 0 0 1) face of hexagonal ice by HCl Chemical Physics Letters. 376: 581-587. DOI: 10.1016/S0009-2614(03)01037-6  1
2003 Crespos C, Collins MA, Pijper E, Kroes GJ. Multi-dimensional potential energy surface determination by modified Shepard interpolation for a molecule-surface reaction: H2 + Pt(1 1 1) Chemical Physics Letters. 376: 566-575. DOI: 10.1016/S0009-2614(03)01033-9  1
2003 McCormack DA, Kroes G. Erratum to: ‘Full-dimensional quantal initial state-selected reaction probabilities (J=0) for the reaction OH(v=0,j=0)+CO(v=0,j=0)→CO2+H’ [Chem. Phys. Lett. 352 (2002) 281–287] Chemical Physics Letters. 373: 648-649. DOI: 10.1016/S0009-2614(03)00635-3  1
2002 Kroes GJ, Gross A, Baerends EJ, Scheffler M, McCormack DA. Quantum theory of dissociative chemisorption on metal surfaces. Accounts of Chemical Research. 35: 193-200. PMID 11900523 DOI: 10.1021/Ar010104U  1
2002 Lemke D, Grözinger U, Henning T, Hofferbert R, Rohloff RR, Wagner K, Martin L, Kroes G, Wright GS. Cryomechanisms for positioning the optical components of the mid-infrared instrument (MIRI) for NGST Proceedings of Spie - the International Society For Optical Engineering. 4850: 544-555. DOI: 10.1117/12.461498  1
2002 Lagage PO, Pel JW, Authier M, Belorgey J, Claret A, Damstra S, Dubreuil D, Durand G, Elswijk E, Galdemard P, Gournay JF, De Jong A, Kroes G, Lortholary M, Lussignol Y, et al. Characterization in the laboratory of VISIR, the mid-infrared imager and spectrometer for the VLT Proceedings of Spie - the International Society For Optical Engineering. 4841: 923-931. DOI: 10.1117/12.461101  1
2002 Valero R, Kroes GJ. Theoretical rate constants for the OH+CO→H+CO2 reaction using variational transition state theory on analytical potential energy surfaces Journal of Chemical Physics. 117: 8736-8744. DOI: 10.1063/1.1513467  1
2002 Somers MF, McCormack DA, Kroes GJ, Olsen RA, Baerends EJ, Mowrey RC. Signatures of site-specific reaction of H2 on Cu(100) Journal of Chemical Physics. 117: 6673-6687. DOI: 10.1063/1.1506141  1
2002 Pijper E, Kroes GJ, Olsen RA, Baerends EJ. Reactive and diffractive scattering of H2 from Pt(111) studied using a six-dimensional wave packet method Journal of Chemical Physics. 117: 5885-5898. DOI: 10.1063/1.1501121  1
2002 Pijper E, Kroes GJ, Olsen RA, Baerends EJ. Dissociative and diffractive scattering of H2 from Pt(111): A four-dimensional quantum dynamics study Journal of Chemical Physics. 116: 9435-9448. DOI: 10.1063/1.1475744  1
2002 McCormack DA, Kroes GJ. Converged five-dimensional quantum calculations for OH+CO→H+CO2 Journal of Chemical Physics. 116: 4184-4191. DOI: 10.1063/1.1449871  1
2002 Olsen RA, Busnengo HF, Salin A, Somers MF, Kroes GJ, Baerends EJ. Constructing accurate potential energy surfaces for a diatomic molecule interacting with a solid surface: H2 + Pt(111) and H2 + Cu(100) Journal of Chemical Physics. 116: 3841-3855. DOI: 10.1063/1.1446852  1
2002 Al-Halabi A, Kleyn AW, Van Dishoeck EF, Kroes GJ. Sticking of hydrogen atoms to crystalline ice surfaces: Dependence on incidence energy and surface temperature Journal of Physical Chemistry B. 106: 6515-6522. DOI: 10.1021/jp020007y  1
2002 Bonn M, Kleyn AW, Kroes GJ. Real time chemical dynamics at surfaces Surface Science. 500: 475-499. DOI: 10.1016/S0039-6028(01)01550-3  1
2002 Somers MF, Kingma SM, Pijper E, Kroes GJ, Lemoine D. Six-dimensional quantum dynamics of scattering of (v = 0, j = 0) H2 and D2 from Cu(1 1 1): Test of two LEPS potential energy surfaces Chemical Physics Letters. 360: 390-399. DOI: 10.1016/S0009-2614(02)00869-2  1
2002 Busnengo HF, Pijper E, Somers MF, Kroes GJ, Salin A, Olsen RA, Lemoine D, Dong W. Six-dimensional quantum and classical dynamics study of H2(v = 0,J = 0) scattering from Pd(1 1 1) Chemical Physics Letters. 356: 515-522. DOI: 10.1016/S0009-2614(02)00404-9  1
2002 McCormack DA, Kroes GJ. Full-dimensional quantal initial state-selected reaction probabilities (J = 0) for the reaction OH(v = 0, j = 0) + CO(v = 0, j = 0) → CO2 + H Chemical Physics Letters. 352: 281-287. DOI: 10.1016/S0009-2614(01)01458-0  1
2001 Albrecht G, Veerman JW, Damen H, Kroes G. The Child Behavior Checklist for Group Care Workers: A Study Regarding the Factor Structure Journal of Abnormal Child Psychology. 29: 83-89. PMID 11316337 DOI: 10.1023/A:1005255614039  1
2001 Al-Halabi A, Kleyn AW, Kroes GJ. Sticking of HCl to ice at hyperthermal energies: Dependence on incidence energy, incidence angle, and surface temperature Journal of Chemical Physics. 115: 482-491. DOI: 10.1063/1.1377885  1
2001 Mowrey RC, McCormack DA, Kroes GJ, Baerends EJ. Vibrational de-excitation of v = 1 H2 during collisions with a Cu(100) surface Journal of Chemical Physics. 114: 7581-7592. DOI: 10.1063/1.1359738  1
2001 Watts E, Sitz GO, McCormack DA, Kroes GJ, Olsen RA, Groeneveld JA, Van Stralen JNP, Baerends EJ, Mowrey RC. Rovibrationally inelastic scattering of (v = 1, j = 1) H2 from Cu(100): Experiment and theory Journal of Chemical Physics. 114: 495-503. DOI: 10.1063/1.1330728  1
2001 Pijper E, Somers MF, Kroes GJ, Olsen RA, Baerends EJ, Busnengo HF, Salin A, Lemoine D. Six-dimensional quantum dynamics of scattering of ( v=0 , j=0 ) H2 from Pt(1 1 1): Comparison to experiment and to classical dynamics results Chemical Physics Letters. 347: 277-284. DOI: 10.1016/S0009-2614(01)01074-0  1
2000 McCormack DA, Kroes GJ, Olsen RA, Groeneveld JA, van Stralen JN, Baerends EJ, Mowrey RC. Quantum dynamics of the dissociation of H2 on Cu(100): dependence of the site-reactivity on initial rovibrational state. Faraday Discussions. 109-32; discussion 1. PMID 11271987 DOI: 10.1039/B002507K  1
2000 McCormack DA, Kroes GJ, Olsen RA, Groeneveld JA, Van Stralen JNP, Baerends EJ, Mowrey RC. Molecular knife throwing: Aiming for dissociation at specific surface sites through state-selection Chemical Physics Letters. 328: 317-324. DOI: 10.1016/S0009-2614(00)00939-8  1
2000 Kroes G, De Greef M. National initiatives for the promotion of physical activity for older persons in the Netherlands Journal of Aging and Physical Activity. 8: 431-435.  1
1999 Israel CW, Kruse IM, Van Mechelen R, Kroes G, Heynen H, Lokhoff N. Results from the use of a preshaped lead for single-pass VDD/DDD stimulation Pace - Pacing and Clinical Electrophysiology. 22: 1314-1320. PMID 10527012 DOI: 10.1111/j.1540-8159.1999.tb00624.x  1
1999 McCormack DA, Kroes GJ, Olsen RA, Baerends EJ, Mowrey RC. Rotational Effects on Vibrational Excitation ofH2on Cu(100) Physical Review Letters. 82: 1410-1413. DOI: 10.1103/Physrevlett.82.1410  1
1999 Mowrey RC, Kroes GJ, Wiesenekker G, Baerends EJ. Erratum: “Dissociative adsorption of H2 on Cu(100): A four-dimensional study of the effect of rotational motion on the reaction dynamics” [J. Chem. Phys. 106, 4248 (1997)] The Journal of Chemical Physics. 110: 2740-2740. DOI: 10.1063/1.478794  1
1999 McCormack DA, Kroes G, Olsen RA, Baerends E, Mowrey RC. Rotational Effects in Six-Dimensional Quantum Dynamics for Reaction of H2 on Cu (100). Journal of Chemical Physics. 110: 7008-7020. DOI: 10.1063/1.478606  1
1999 Kroes GJ, Baerends EJ, Mowrey RC. Erratum: “Six-dimensional quantum dynamics of dissociative chemisorption of H2 on Cu(100)” [J. Chem. Phys. 107, 3309 (1997)] The Journal of Chemical Physics. 110: 2738-2739. DOI: 10.1063/1.478000  1
1999 Kroes GMLW, Löffler HJM, Parlevliet JE, Keizer LCP, Lange W. Interactions of Fusarium oxysporum f.sp. lini, the flax wilt pathogen, with flax and linseed Plant Pathology. 48: 491-498. DOI: 10.1046/j.1365-3059.1999.00359.x  1
1999 McCormack DA, Kroes G. A classical study of rotational effects in dissociation of H2 on Cu(100) Physical Chemistry Chemical Physics. 1: 1359-1374. DOI: 10.1039/A808276F  1
1999 Kroes G. Six-dimensional quantum dynamics of dissociative chemisorption of H2 on metal surfaces Progress in Surface Science. 60: 1-85. DOI: 10.1016/S0079-6816(99)00006-4  0.01
1999 Olsen RA, Kroes GJ, Baerends EJ. Atomic and molecular hydrogen interacting with Pt(111) Journal of Chemical Physics. 111: 11155-11163.  1
1999 Kroes GJ. Quantum Dynamics of H2-Surface Scattering: H2 + LiF(001) and H2 + Cu(100) Journal of Physical Chemistry B. 103: 9397-9414.  1
1999 Al-Halabi A, Kleyn AW, Kroes GJ. New predictions on the sticking of HCl to ice at hyperthermal energies Chemical Physics Letters. 307: 505-510.  1
1998 Bertino MF, Glebov AL, Toennies JP, Traeger F, Pijper E, Kroes GJ, Mowrey RC. Observation of Large Differences in the Diffraction of Normal- and Para-H2from LiF(001) Physical Review Letters. 81: 5608-5611. DOI: 10.1103/PhysRevLett.81.5608  1
1998 McCormack DA, Kroes GJ, Neuhauser D. Resonance affected scattering: Comparison of two hybrid methods involving filter diagonalization and the Lanczos method Journal of Chemical Physics. 109: 5177-5186. DOI: 10.1063/1.477134  1
1998 Mowrey RC, Kroes GJ, Baerends EJ. Dissociative adsorption of H2 on Cu(100): Fixed-site calculations for impact at hollow and top sites The Journal of Chemical Physics. 108: 6906-6915. DOI: 10.1063/1.476105  1
1998 McCormack DA, Kroes G. Accuracy of trajectory methods for activated adsorption of H2 on Cu(100) Chemical Physics Letters. 296: 515-520. DOI: 10.1016/S0009-2614(98)01103-8  1
1997 Kroes GJ, Baerends EJ, Mowrey RC. Six-Dimensional Quantum Dynamics of Dissociative Chemisorption of (v=0,j=0)H2on Cu(100) Physical Review Letters. 78: 3583-3586. DOI: 10.1103/Physrevlett.78.3583  1
1997 Kroes G, Hemert MCv, Billing GD, Neuhauser D. Photodissociation Of Ch2. Vi. Three-Dimensional Quantum Dynamics Of The Dissociation Through The Coupled 2A And 3A States Journal of Chemical Physics. 107: 5757-5770. DOI: 10.1063/1.475130  1
1997 Olsen RA, Kroes GJ, Lo/vvik OM, Baerends EJ. The influence of surface motion on the direct subsurface absorption of H2 on Pd(111) The Journal of Chemical Physics. 107: 10652-10661. DOI: 10.1063/1.474181  1
1997 Mowrey RC, Kroes GJ, Wiesenekker G, Baerends EJ. Dissociative adsorption of H2 on Cu(100): A four-dimensional study of the effect of rotational motion on the reaction dynamics The Journal of Chemical Physics. 106: 4248-4259. DOI: 10.1063/1.473515  1
1997 Kroes G, Wall MR, Pang JW, Neuhauser D. Avoiding long propagation times in wave packet calculations on scattering with resonances: A new algorithm involving filter diagonalization Journal of Chemical Physics. 106: 1800-1807. DOI: 10.1063/1.473334  1
1997 Kroes G, Hemert MCv, Billing GD, Neuhauser D. Photodissociation of CH2(13B1) through the coupled 2 A″ and 3 A″ states: quantitative branching ratios for the production of CH + H and C + H2 Chemical Physics Letters. 271: 311-319. DOI: 10.1016/S0009-2614(97)00472-7  1
1996 Kroes GJ, Wiesenekker G, Baerends EJ, Mowrey RC. Competition between vibrational excitation and dissociation in collisions of H2 with Cu(100). Physical Review. B, Condensed Matter. 53: 10397-10401. PMID 9982610  1
1996 Kroes G, Neuhauser D. Avoiding long propagation times in wave packet calculations on scattering with resonances: A hybrid approach involving the Lanczos method The Journal of Chemical Physics. 105: 9104-9114. DOI: 10.1063/1.472744  1
1996 Kroes G, Neuhauser D. Performance of a time‐independent scattering wave packet technique using real operators and wave functions The Journal of Chemical Physics. 105: 8690-8698. DOI: 10.1063/1.472650  1
1996 Kroes GJ, Wiesenekker G, Baerends EJ, Mowrey RC, Neuhauser D. Dissociative chemisorption of H2 on Cu(100): A four‐dimensional study of the effect of parallel translational motion on the reaction dynamics The Journal of Chemical Physics. 105: 5979-5998. DOI: 10.1063/1.472450  1
1996 Wiesenekker G, Kroes GJ, Baerends EJ. An analytical six‐dimensional potential energy surface for dissociation of molecular hydrogen on Cu(100) The Journal of Chemical Physics. 104: 7344-7358. DOI: 10.1063/1.471402  1
1995 Wiesenekker G, Kroes GJ, Baerends EJ, Mowrey RC. Erratum: Dissociation of H2 on Cu(100): Dynamics on a new two‐dimensional potential energy surface [J. Chem. Phys. 102, 3873 (1995)] The Journal of Chemical Physics. 103: 5168-5169. DOI: 10.1063/1.470736  1
1995 Kroes GJ, Snijders JG, Mowrey RC. Performance of close‐coupled wave packet methods for molecule‐corrugated surface scattering The Journal of Chemical Physics. 103: 5121-5136. DOI: 10.1063/1.470599  1
1995 Mowrey RC, Kroes GJ. Application of an efficient asymptotic analysis method to molecule–surface scattering The Journal of Chemical Physics. 103: 1216-1225. DOI: 10.1063/1.469831  1
1995 Kroes G, Mowrey RC. Scattering of H2by LiF(001) studied using a new model potential. I. Prediction of large differences in diffraction of cold beams of para‐H2and normal‐H2 The Journal of Chemical Physics. 103: 2186-2201. DOI: 10.1063/1.469694  1
1995 Doublet ML, Kroes GJ, Baerends EJ, Rosa A. H2O photodissociation dynamics based on potential energy surfaces from density functional calculations The Journal of Chemical Physics. 103: 2538-2547. DOI: 10.1063/1.469675  1
1995 Kroes GJ, Snijders JG, Mowrey RC. Performance of a fully close‐coupled wave packet method for the H2+LiF(001) model problem The Journal of Chemical Physics. 102: 5512-5524. DOI: 10.1063/1.469281  1
1995 Kroes G, Mowrey R. Prediction of large differences in diffraction of cold beams of para-H2 and normal-H2 by LiF(001) Chemical Physics Letters. 232: 258-266. DOI: 10.1016/0009-2614(94)01345-V  0.01
1994 Kroes GJ, Mowrey RC. Calculations on rotationally and diffractionally inelastic molecule‐surface scattering for arbitrary angles of incidence: A new wave packet technique The Journal of Chemical Physics. 101: 805-813. DOI: 10.1063/1.468136  1
1994 Kroes G. Photodissociation of CH2: A test case for the light–heavy–light approximation The Journal of Chemical Physics. 101: 5792-5803. DOI: 10.1063/1.467294  0.01
1994 Beärda RA, Kroes G, Hemert MCv, Heumann B, Schinke R, Dishoeck EFv. Photodissociation of CH2. III. Two‐dimensional dynamics of the dissociation of CH2, CD2, and CHD through the first excited triplet state Journal of Chemical Physics. 100: 1113-1127. DOI: 10.1063/1.466643  0.01
1993 Kroes G, Dishoeck EFv, Beärda RA, Hemert MCv. Photodissociation of CH2. II. Three‐dimensional wave packet calculations on dissociation through the first excited triplet state Journal of Chemical Physics. 99: 228-236. DOI: 10.1063/1.465800  0.01
1992 Kroes G. The royal road to an energy-conserving predictor-corrector method Computer Physics Communications. 70: 41-52. DOI: 10.1016/0010-4655(92)90089-H  0.01
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