49 results on '"Shankland, Kenneth"'
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2. Improved crystal structure solution from powder diffraction data by the use of conformational information
3. Improved performance of crystal structure solution from powder diffraction data through parameter tuning of a simulated annealing algorithm
4. Improved crystal structure solution from powder diffraction data by the use of conformational information
5. CDASH: a cloud-enabled program for structure solution from powder diffraction data
6. Applications of density functional theory to crystal structure solution for multicomponent crystals
7. Issues in solving complex molecular crystal structures from lab PXRD data
8. The principles underlying the use of powder diffraction data in solving pharmaceutical crystal structures
9. Magnesium, calcium and strontium salts of phenylacetic acid
10. Jpowder: a Java-based program for the display and examination of powder diffraction data
11. A benchmark method for global optimization problems in structure determination from powder diffraction data
12. MDASH: a multi-core-enabled program for structure solution from powder diffraction data
13. GDASH: a grid-enabled program for structure solution from powder diffraction data
14. ExtSym: a program to aid space-group determination from powder diffraction data
15. Cytenamide–1,4-dioxane (2/1)
16. Cytenamide–butyric acid (1/1)
17. Cytenamide trifluoroacetic acid solvate
18. Cytenamide acetic acid solvate
19. Accurate molecular structures of chlorothiazide and hydrochlorothiazide by joint refinement against powder neutron and X-ray diffraction data
20. Three-centre hydrogen bonds in triphenylphosphine oxide–hydroquinone (1/1)
21. Urea–N,N-dimethylacetamide (1/1)
22. Urea–N,N-dimethylformamide (3/1)
23. Hirshfeld surface analysis of two bendroflumethiazide solvates
24. Carbamazepine trifluoroacetic acid solvate
25. Hydroflumethiazide dimethyl sulfoxide disolvate
26. 10,11-Dihydrocarbamazepine–dimethyl sulfoxide (1/1)
27. (S)-Trichlormethiazide
28. 7-Fluoroisatin–1,4-dioxane (1/1)
29. 6-MethoxyquinolineN-oxide–hydroquinone (2/1)
30. 10,11-Dihydrocarbamazepine (form III)
31. Powder study of (R)-1-phenylethylammonium (R)-2-phenylbutyrate form 2
32. Powder study of (R)-1-phenylethylammonium (R)-2-phenylbutyrate form 3
33. A low-temperature redetermination of cyheptamide
34. An automated platform for parallel crystallization of small organic molecules
35. DASH: a program for crystal structure determination from powder diffraction data
36. Accurate molecular structures and hydrogen bonding in two polymorphs of ortho-acetamidobenzamide by single-crystal neutron diffraction
37. Powder study of 3-azabicyclo[3.3.1]nonane-2,4-dione form 2
38. Powder study of chlorothiazideN,N-dimethylformamide solvate
39. Single-crystal X-ray and neutron powder diffraction investigation of the phase transition in tetrachlorobenzene
40. Powder study of hydrochlorothiazide–methyl acetate (1/1)
41. Powder study of hydrochlorothiazide form II
42. Powder diffraction study of 1,2:3,4-dibenzanthracene
43. Solving molecular crystal structures from laboratory X-ray powder diffraction data withDASH: the state of the art and challenges
44. Characterization of a hybrid Monte Carlo search algorithm for structure determination
45. Powder study ofN-[2-(4-hydroxy-2-oxo-2,3-dihydro-1,3-benzothiazol-7-yl)ethyl]-3-[2-(2-naphthalen-1-ylethoxy)ethylsulfonyl]propylaminium benzoate
46. A hybrid Monte Carlo method for crystal structure determination from powder diffraction data
47. Molecular, crystallographic and algorithmic factors in structure determination from powder diffraction data by simulated annealing
48. A maximum-likelihood method for global-optimization-based structure determination from powder diffraction data
49. The disordered structure of tetraferrocenyl-[3]-cumulene, (Fc)2C=C=C=C(Fc)2, by simulated annealing using synchrotron powder diffraction data
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