215 results on '"Harding, J. H."'
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2. A transferable force-field for alkali metal nitrates
3. Evaluation of correlated studies using liquid cell and cryo‐transmission electron microscopy: Hydration of calcium sulphate and the phase transformation pathways of bassanite to gypsum
4. Making the Connection Between Atomistic Modelling of Interfaces and Real Materials
5. Computer Modelling of Defects
6. Interionic Potentials: A Users Guide
7. Simulation of Growth Processes
8. Superexchange in Copper Acetates
9. Magnetic Exchange and Anisotropic Susceptibilities in High-Spin Binuclear Cobalt II Species
10. Nucleation and Growth of Supported Metal Clusters at Defect Sites on Mgo and NaCl (001) Surfaces: The Cases of Pd and Ag
11. Multiple cascade radiation damage simulations of pyrochlore
12. Simulation of the Growth of Heterostructures
13. A study of ligand field models in transition metal complexes
14. Computer Simulation of Interfaces in Ceramics
15. Modeling the deposition process of thermal barrier coatings
16. Short-Circuit Diffusion in Ceramics
17. The water–amorphous calcium carbonate interface and its interactions with amino acids
18. Interaction of stable aggregates drives the precipitation of calcium phosphate in supersaturated solutions
19. EMBEDDED CLUSTER CALCULATIONS OF DEFECT PROCESSES
20. Multiple cascade radiation damage simulations of pyrochlore.
21. An atomistic study into the defect chemistry of hexagonal barium titanate.
22. Sampling the structure of calcium carbonate nanoparticles with metadynamics.
23. Metadynamics simulations of calcite crystallization on self-assembled monolayers.
24. Clustering of Defects: Disorder of Non-Stoichiometric Oxides
25. Calculated Grain Boundary Structures in NiO; Comparison with Experiment
26. Calculation of Defect Processes at High Temperature
27. Defect Clustering In Rock-Salt Structured Transition Metal Oxides
28. Interatomic potentials in covalent and semi-covalent solids
29. Thermodynamic and Transport Properties of Superionic Conductors and Electrode Materials
30. The Water–Amorphous Calcium Carbonate Interface and Its Interactions with Amino Acids
31. The energies of point defects near metal/oxide interfaces.
32. Molecular dynamics simulations of compressible ions.
33. The Water-Amorphous Calcium Carbonate Interface and Its Interactions with Amino Acids.
34. Protein binding on stepped calcite surfaces: simulations of ovocleidin-17 on calcite {31.16} and {31.8}\ud
35. Defect Clustering In Rock-Salt Structured Transition Metal Oxides
36. Calculation of Defect Processes at High Temperature
37. DEFECTS AND TRANSPORT IN IONIC SOLIDS
38. Oriented crystal growth on organic monolayers
39. The application of a new potential model to the rare-earth doping of SrTiO3 and CaTiO3
40. First-principles study of intrinsic point defects in hexagonal barium titanate
41. The thermodynamics of calcite nucleation at organic interfaces: Classical vs. non-classical pathways
42. Energetics of Ce and Pu incorporation into zirconolite waste-forms
43. Accommodation of the misfit strain energy in the BaO(100)/MgO(100) heteroepitaxial ceramic interface using computer simulation techniques
44. Invited review: Mesoscopic modelling: Materials at the appropriate scale
45. Nucleation and growth on defect sites: experiment–theory comparison for Pd/MgO(001)
46. The challenge of biominerals to simulations
47. Cohesion and polymorphism in solid rubidium chloride
48. Surface diffusion and surface growth in nanofilms of mixed rocksalt oxides
49. Atomic Structure of Low‐Index CeO 2 Surfaces
50. Molecular Dynamics simulation of aqueous ZnC12solutions
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