136 results on '"Haberlandt, R."'
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2. Time resolved in situ ATR spectroscopy of 2-propanol oxidation over Pd/Al2O3: evidence for 2-propoxide intermediate
3. Numerical analysis of nonionic surfactant monolayers at water/air interfaces
4. A novel moller-plesset perturbation based potential for determining the structural and dynamical properties of methane in silicate-1: a molecular dynamics study
5. Understanding the movement, encapsulation, and energy barrier of water molecule diffusion into the in silicalites using ab initio calculations
6. Energy barrier of water and methane molecules due to the silanol groups on the (010) surface of silicalite-1 as studied by quantum chemical calculations
7. Random walk treatment of dumb-bell molecules in an LTA zeolite and in chabazite
8. A molecular dynamics (MD) study of methane in silicalite-1: A novel Møller-Plesset potential energy surface
9. Molecular dynamics simulations of static and dynamic properties of water adsorbed in chabazite
10. Diffusion of water in silicalite by molecular dynamics simulations: Ab initio based interactions
11. 16-P-18 - The mutual influence of dynamic processes acting in different time scales
12. 15-P-28 - Computer simulations of water in zeolites
13. Methane diffusion in zeolites of structure type LTA in dependence on physical and chemical parameters —An MD study
14. The importance of various degrees of freedom in the theoretical study of the diffusion of methane in silicalite-1
15. An MD study of methane diffusion in zeolites of structure type LTA
16. On the diffusion of water in silicalite-1: MD simulations using ab initio fitted potential and PFG NMR measurements
17. Equilibration of the kinetic energy in small zeolite cavities: The thermalization effect of lattice vibrations and of mutual interaction in the diffusion of methane in a cation-free LTA zeolite
18. Structure and energetics of water-silanol binding on the surface of silicate-1: Quantum chemical calculations
19. Transition State Theory in Isotope and Radiation Chemistry / Theorie des Übergangszustandes in der Isotopen- und Strahlenchemie
20. Concentration Dependence of the Methane Structure in Silicalite-1: A Molecular Dynamics Study Using the Møller−Plesset-Based Potential
21. Structure and Energetics of Water−Silanol Binding on the Surface of Silicalite-1: Quantum Chemical Calculations
22. A Novel Møller−Plesset Perturbation Based Potential for Determining the Structural and Dynamical Properties of Methane in Silicalite-1: A Molecular Dynamics Study
23. PFG NMR studies of anomalous diffusion
24. Ab initio potential energy surface and molecular dynamics simulations for the determination of the diffusion coefficient of water in silicalite-1
25. Understanding the Movement, Encapsulation, and Energy Barrier of Water Molecule Diffusion into and in Silicalites Using Ab Initio Calculations
26. Modelling Diffusion in Zeolites by Molecular Dynamics Simulations
27. About the influence of lattice vibrations on the diffusion of methane in a cation-free LTA zeolite
28. An MD study on the diffusion of a mixture of methane and xenon in silicalite
29. Tagungsberichte: Multiphoton Photochemistry in Biological Systems: 166. WE-Heraeus-Seminar/WE-Heraeus Ferienkurse für Physik 1996/„Laser in der Physik”︁/„Physik und Technik der Wechselwirkung von Niedertemperatur-Plasmen mit Festkörperoberflächen”︁ (Greif
30. An MD study on the diffusion of methane in a cation-free LTA zeolite. Illustrations and new results
31. On the relaxation of the translational energy in binary mixtures of dense hard sphere systems
32. Introduction to nonlinear science
33. Influence of exchangeable cations on the diffusion of neutral diffusants in zeolites of type LTA. An MD study
34. An MD Study on the Correlation between Transport Diffusion and Self-Diffusion in Zeolites
35. Relaxation of translational energy in binary mixtures of dense hard sphere systems
36. On the diffusion mechanism of methane in a cation-free zeolite of type ZK4
37. An MD simulation on the applicability of the diffusion equation for molecules adsorbed in a zeolite
38. Statistical and Kinetic Approach to Plasmachemical Reactions
39. Molecular dynamics consideration of the mutual thermalization of guest molecules in zeolites
40. Verallgemeinerte Mastergleichungen und Fokker-Planck-Gleichungen für Prozesse in inhomogenen Systemen weitab vom Gleichgewicht.
41. Diagram Expansions in Nonequilibrium Statistical Mechanics Classical Limit Considerations.
42. Isotopic Effects in the Self-diffusion Coefficient in an Equimolar Binary Mixture.
43. Fractional Crystallization Models for Calculating Distribution Coefficients of Chemical Elements between Magmas and their Crystallization Products.
44. Transition State Theory in Isotope and Radiation Chemistry.
45. Originalarbeiten Untersuchung der Reaktion X 2 +X→X+X 2 für X=H, D im Rahmen der R-Matrix-Theorie.
46. Quantenstatistik fast klassischer Systeme mit Anwendung auf die Zustandsgleichung realer Gase: II. Berechnung von Isotopieeffekten.
47. Quantum statistical theory of chemical reactions.
48. Quantum statistical theory of chemical reactions.
49. Molecular dynamics under the confinement by the host lattice in zeolitic adsorbate-adsorbent systems
50. Van Hove Function for Diffusion in Zeolites
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