54 results on '"Kroes, G."'
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2. Possible effect of static surface disorder on diffractive scattering of H2 from Ru(0001): Comparison between theory and experiment
3. The effect of the exchange-correlation functional on H2 dissociation on Ru(0001)
4. Towards a specific reaction parameter density functional for reactive scattering of H2 from Pd(111)
5. Isotope effects on the photodesorption processes of X2O (X = H,D) and HOD ice
6. Reactive scattering of H2 from Cu(100): Comparison of dynamics calculations based on the specific reaction parameter approach to density functional theory with experiment
7. Vibrational deexcitation and rotational excitation of H2 and D2 scattered from Cu(111): Adiabatic versus non-adiabatic dynamics
8. Molecular dynamics simulations of D2O ice photodesorption
9. Hydrogen dissociation on small aluminum clusters
10. Quantum dynamics of dissociative chemisorption of CH4 on Ni(111): Influence of the bending vibration
11. Molecular dynamics simulations of the ice temperature dependence of water ice photodesorption
12. A theoretical study of H2 dissociation on (3×3)R30°CO/Ru(0001)
13. First principles study of the photo-oxidation of water on tungsten trioxide (WO3)
14. The photodissociation of the water dimer in the à band: A twelve-dimensional quasiclassical study
15. Dissociative chemisorption of H2 on the Cu(110) surface: A quantum and quasiclassical dynamical study
16. Reactive and nonreactive scattering of N2 from Ru(0001): A six-dimensional adiabatic study
17. Multiconfiguration time-dependent Hartree method applied to molecular dissociation on surfaces: H2+Pt(111)
18. A classical dynamics method for H2 diffraction from metal surfaces
19. Comparison of methods for finding saddle points without knowledge of the final states
20. Sticking of CO to crystalline and amorphous ice surfaces
21. Application of the modified Shepard interpolation method to the determination of the potential energy surface for a molecule–surface reaction: H2+Pt(111)
22. Reactive scattering of H[sub 2] from Cu(100): Six-dimensional quantum dynamics results for reaction and scattering obtained with a new, accurately fitted potential-energy surface
23. Rotational effects in dissociation of H2 on Pd(111): Quantum and classical study
24. Signatures of site-specific reaction of H2 on Cu(100)
25. Reactive and diffractive scattering of H2 from Pt(111) studied using a six-dimensional wave packet method
26. Dissociative and diffractive scattering of H2 from Pt(111): A four-dimensional quantum dynamics study
27. Constructing accurate potential energy surfaces for a diatomic molecule interacting with a solid surface: H2+Pt(111) and H2+Cu(100)
28. Sticking of HCl to ice at hyperthermal energies: Dependence on incidence energy, incidence angle, and surface temperature
29. Vibrational de-excitation of v=1 H2 during collisions with a Cu(100) surface
30. Rovibrationally inelastic scattering of (v=1, j=1) H[sub 2] from Cu(100): Experiment and theory
31. The effect of corrugation on the quantum dynamics of dissociative and diffractive scattering of H2 from Pt(111)
32. Atomic and molecular hydrogen interacting with Pt(111)
33. Erratum: “Six-dimensional quantum dynamics of dissociative chemisorption of H2 on Cu(100)” [J. Chem. Phys. 107, 3309 (1997)]
34. 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)]
35. The influence of molecular rotation on the direct subsurface absorption of H2 on Pd(111)
36. Dissociative adsorption of H2 on Cu(100): Fixed-site calculations for impact at hollow and top sites
37. The influence of surface motion on the direct subsurface absorption of H2 on Pd(111)
38. Six-dimensional quantum dynamics of dissociative chemisorption of H2 on Cu(100)
39. Direct subsurface absorption of hydrogen on Pd(111): Quantum mechanical calculations on a new two-dimensional potential energy surface
40. Dissociative adsorption of H2 on Cu(100): A four-dimensional study of the effect of rotational motion on the reaction dynamics
41. Dissociative chemisorption of H2 on Cu(100): A four-dimensional study of the effect of parallel translational motion on the reaction dynamics
42. An analytical six‐dimensional potential energy surface for dissociation of molecular hydrogen on Cu(100)
43. Performance of close‐coupled wave packet methods for molecule‐corrugated surface scattering
44. Erratum: Dissociation of H2 on Cu(100): Dynamics on a new two‐dimensional potential energy surface [J. Chem. Phys. 102, 3873 (1995)]
45. H2O photodissociation dynamics based on potential energy surfaces from density functional calculations
46. Application of an efficient asymptotic analysis method to molecule–surface scattering
47. Performance of a fully close-coupled wave packet method for the H2+LiF(001) model problem
48. Dissociation of H2 on Cu(100): Dynamics on a new two-dimensional potential energy surface
49. Calculations on rotationally and diffractionally inelastic molecule-surface scattering for arbitrary angles of incidence: A new wave packet technique
50. Photodissociation of CH2. IV. Predicted resonance Raman emission spectrum of photodissociating3CH2
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