127 results on '"Cooper, Richard I."'
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2. Compositional dependence of anomalous thermal expansion in perovskite-like ABX3 formates
3. Charge-ice dynamics in the negative thermal expansion material Cd(CN)$_2$
4. Recent Developments in the Refinement and Analysis of Crystal Structures
5. A hexagonal planar transition-metal complex
6. The Continuum Between Hexagonal Planar and Trigonal Planar Geometries**
7. Crystal structures of increasingly large molecules: meeting the challenges with CRYSTALS software
8. Identifying problems in your single-crystal diffraction data
9. Controlling Intramolecular Interactions in the Design of Selective, High-Affinity Ligands for the CREBBP Bromodomain
10. ElectroShape: fast molecular similarity calculations incorporating shape, chirality and electrostatics
11. HAR, TAAM and BODD refinements of model crystal structures using Cu Kα and Mo Kα X-ray diffraction data
12. Increasing the performance, trustworthiness and practical value of machine learning models: a case study predicting hydrogen bond network dimensionalities from molecular diagrams
13. Adventures with CRYSTALS: developing methods and tools with an in-house refinement code
14. The partial dehydrogenation of aluminium dihydrides
15. Heteroatom substitution effects in spin crossover dinuclear complexes
16. Will they co-crystallize?
17. Report on the sixth blind test of organic crystal-structure prediction methods
18. HUG and SQUEEZE: using CRYSTALS to incorporate resonant scattering in the SQUEEZE structure-factor contributions to determine absolute structure
19. A publicly available crystallisation data set and its application in machine learning
20. Will they co-crystallize?
21. Beyond Rotatable Bond Counts: Capturing 3D Conformational Flexibility in a Single Descriptor
22. On the application of leverage analysis to parameter precision using area-detector strategies
23. Report on the sixth blind test of organic crystal structure prediction methods
24. The application of inelastic neutron scattering to investigate the interaction of methyl propanoate with silica
25. Compositional dependence of anomalous thermal expansion in perovskite-like ABX3formates
26. Fitting ensemble models of disorder usinga priorichemical structure information
27. Software solutions for custom-built X-ray diffractometers and non-standard experimental setups
28. Crystal math – when numerical algorithms meet black magic
29. What pushes some molecular materials beyond the edge of crystallinity: an experimental study based on machine-learning predictive models
30. Will it crystallise? Predicting crystallinity of molecular materials
31. Compositional dependence of anomalous thermal expansion in perovskite-like ABX3 formates.
32. DetOx: a program for determining anomalous scattering factors of mixed-oxidation-state species
33. Charge-ice dynamics in the negative thermal expansion material Cd(CN)2
34. 2-Acetamido-4,5-dinitrotoluene: a test molecule for the CCDC `Blind Structure Prediction Test, 2004'. Corrigendum
35. Applications of leverage analysis in structure refinement
36. CRYSTALSenhancements: dealing with hydrogen atoms in refinement
37. Steviamine, a new class of indolizidine alkaloid [(1R,2S,3R,5R,8aR)-3-hydroxymethyl-5-methyloctahydroindolizine-1,2-diol hydrobromide]
38. CRYSTALS: refinement and validation tools
39. Structure and hydrogen bonding in 2,4-dihydroxybenzoic acid at 90, 100, 110 and 150 K; a theoretical and single-crystal X-ray diffraction study
40. Structure matching: measures of similarity and pseudosymmetry
41. N-(2-Methyl-3,6-dinitrophenyl)acetamide
42. 3-Iodo-2,6-dinitrotoluene
43. 2-Acetamido-4-nitrotoluene
44. Chloro{1-[(dimethylamino)methyl-κN]-1H-indolyl-κC2}(triphenylphosphine-κP)palladium(II) dichloromethane solvate
45. Acetato[1-(oxazolin-2-ylmethyl-κN)-1H-indolyl-κC2](triphenylphosphine)palladium(II) dichloromethane solvate
46. Retrieval of Crystallographically-Derived Molecular Geometry Information
47. Methyl 3,6-anhydro-4-azido-5,7-O-(S)-benzylidene-2,4-dideoxy-D-talo-heptonate
48. CRYSTALSversion 12: software for guided crystal structure analysis
49. Isopropyl 6-amino-2,5-anhydro-3,6-dideoxy-6-N-(2,5-anhydro-6-azido-3,6-dideoxy-L-arabino-hexonyl)-L-arabino-hexonate
50. The derivation of non-merohedral twin laws during refinement by analysis of poorly fitting intensity data and the refinement of non-merohedrally twinned crystal structures in the programCRYSTALS
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