Search Results - "Kroes, G.J" :: K.UTB vyhledávací portál | TBU Library Retrieval Portal

Predicting Catalysis: Understanding Ammonia Synthesis from First-Principles Calculations

Predicting Catalysis: Understanding Ammonia Synthesis from First-Principles Calculations

by Hellman, A, Baerends, E. J, Biczysko, M, Bligaard, T, Christensen, C. H, Clary, D. C, Dahl, S, van Harrevelt, R, Honkala, K, Jonsson, H, Kroes, G. J, Luppi, M, Manthe, U, Nørskov, J. K, Olsen, R. A, Rossmeisl, J, Skúlason, E, Tautermann, C. S, Varandas, A. J. C, Vincent, J. K
Published in The journal of physical chemistry. B (14.09.2006)

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Dissociative chemisorption of H2 on Pt(111): isotope effect and effects of the rotational distribution and energy dispersion

Dissociative chemisorption of H2 on Pt(111): isotope effect and effects of the rotational distribution and energy dispersion

by VINCENT, J. K, OLSEN, R. A, KROES, G. J, BAERENDS, E. J
Published in Surface science (20.12.2004)

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Six-dimensional quantum dynamics of scattering of (v = 0, j = 0) H2 from Pt(1 11) : comparison to experiment and to classical dynamics results

Six-dimensional quantum dynamics of scattering of (v = 0, j = 0) H2 from Pt(1 11) : comparison to experiment and to classical dynamics results

by PIJPER, E, SOMERS, M. F, KROES, G. J, OLSEN, R. A, BAERENDS, E. J, BUSNENGO, H. F, SALIN, A, LEMOINE, D
Published in Chemical physics letters (01.10.2001)

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New predictions on the sticking of HCl to ice at hyperthermal energies

New predictions on the sticking of HCl to ice at hyperthermal energies

by Al-Halabi, A., Kleyn, A.W., Kroes, G.J.
Published in Chemical physics letters (09.07.1999)

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An ab initio molecular dynamics study of D2 dissociation on CO-precovered Ru(0001)

An ab initio molecular dynamics study of D2 dissociation on CO-precovered Ru(0001)

by Wijzenbroek, M, Kroes, G. J
Published in Physical chemistry chemical physics : PCCP (03.08.2016)

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Associative desorption of N2 from Ru(0001): A computational study

Associative desorption of N2 from Ru(0001): A computational study

by Díaz, C., Perrier, A., Kroes, G.J.
Published in Chemical physics letters (05.02.2007)

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Multidimensional effects on dissociation of N2 on Ru(0001)

Multidimensional effects on dissociation of N2 on Ru(0001)

by Díaz, C, Vincent, J K, Krishnamohan, G P, Olsen, R A, Kroes, G J, Honkala, K, Nørskov, J K
Published in Physical review letters (10.03.2006)

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Using n-mode potentials for reactive scattering: Application to the 6D H 2 + Pt(1 1 1) problem

Using n-mode potentials for reactive scattering: Application to the 6D H 2 + Pt(1 1 1) problem

by Kroes, G.J., Meyer, H.-D.
Published in Chemical physics letters (08.06.2007)

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Associative desorption of N 2 from Ru(0 0 0 1): A computational study

Associative desorption of N 2 from Ru(0 0 0 1): A computational study

by Díaz, C., Perrier, A., Kroes, G.J.
Published in Chemical physics letters (05.02.2007)

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Using n-mode potentials for reactive scattering: Application to the 6D H2+Pt(111) problem

Using n-mode potentials for reactive scattering: Application to the 6D H2+Pt(111) problem

by Kroes, G.J., Meyer, H.-D.
Published in Chemical physics letters (08.06.2007)

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Multi-dimensional potential energy surface determination by modified Shepard interpolation for a molecule–surface reaction: H 2 + Pt(1 1 1)

Multi-dimensional potential energy surface determination by modified Shepard interpolation for a molecule–surface reaction: H 2 + Pt(1 1 1)

by Crespos, C., Collins, M.A., Pijper, E., Kroes, G.J.
Published in Chemical physics letters (31.07.2003)

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Multi-dimensional potential energy surface determination by modified Shepard interpolation for a molecule-surface reaction: H2 + Pt(111)

Multi-dimensional potential energy surface determination by modified Shepard interpolation for a molecule-surface reaction: H2 + Pt(111)

by CRESPOS, C, COLLINS, M. A, PIJPER, E, KROES, G. J
Published in Chemical physics letters (31.07.2003)

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Six-dimensional quantum and classical dynamics study of H 2 ( ν =0, J =0) scattering from Pd(1 1 1)

Six-dimensional quantum and classical dynamics study of H 2 ( ν =0, J =0) scattering from Pd(1 1 1)

by Busnengo, H.F., Pijper, E., Somers, M.F., Kroes, G.J., Salin, A., Olsen, R.A., Lemoine, D., Dong, W.
Published in Chemical physics letters (26.04.2002)

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Six-dimensional quantum dynamics of scattering of ( v=0, j=0) H 2 and D 2 from Cu(1 1 1): test of two LEPS potential energy surfaces

Six-dimensional quantum dynamics of scattering of ( v=0, j=0) H 2 and D 2 from Cu(1 1 1): test of two LEPS potential energy surfaces

by Somers, M.F, Kingma, S.M, Pijper, E, Kroes, G.J, Lemoine, D
Published in Chemical physics letters (10.07.2002)

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Six-dimensional quantum dynamics of scattering of ( v=0, j=0) H 2 from Pt(1 1 1): comparison to experiment and to classical dynamics results

Six-dimensional quantum dynamics of scattering of ( v=0, j=0) H 2 from Pt(1 1 1): comparison to experiment and to classical dynamics results

by Pijper, E, Somers, M.F, Kroes, G.J, Olsen, R.A, Baerends, E.J, Busnengo, H.F, Salin, A, Lemoine, D
Published in Chemical physics letters (26.10.2001)

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Dissociative chemisorption of H 2 on Pt(1 1 1): isotope effect and effects of the rotational distribution and energy dispersion

Dissociative chemisorption of H 2 on Pt(1 1 1): isotope effect and effects of the rotational distribution and energy dispersion

by Vincent, J.K., Olsen, R.A., Kroes, G.J., Baerends, E.J.
Published in Surface science (2004)

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Real time chemical dynamics at surfaces

Real time chemical dynamics at surfaces

by Bonn, M., Kleyn, A.W., Kroes, G.J.
Published in Surface science (10.03.2002)

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Performance and application of a symmetry adapted pseudo spectral method for scattering of a diatomic molecule from a square surface: H 2 + Cu(1 0 0)

Performance and application of a symmetry adapted pseudo spectral method for scattering of a diatomic molecule from a square surface: H 2 + Cu(1 0 0)

by Somers, M.F., Lemoine, D., Kroes, G.J.
Published in Chemical physics (2004)

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Six-dimensional quantum dynamics of scattering of (υ = 0, j = 0) H2 and D2 from Cu(1 1 1): test of two LEPS potential energy surfaces

Six-dimensional quantum dynamics of scattering of (υ = 0, j = 0) H2 and D2 from Cu(1 1 1): test of two LEPS potential energy surfaces

by SOMERS, M. F, KINGMA, S. M, PIJPER, E, KROES, G. J, LEMOINE, D
Published in Chemical physics letters (10.07.2002)

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Chemically Accurate Simulation of a Prototypical Surface Reaction: H₂ Dissociation on Cu(111)

Chemically Accurate Simulation of a Prototypical Surface Reaction: H₂ Dissociation on Cu(111)

by Díaz, C, Pijper, E, Olsen, R.A, Busnengo, H.F, Auerbach, D.J, Kroes, G.J
Published in Science (American Association for the Advancement of Science) (06.11.2009)

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