Zobrazeno 1 - 10
of 123
pro vyhledávání: '"D. W. J. Cruickshank"'
Publikováno v:
International Journal of Quantum Chemistry. 1:225-231
Atomic SCF calculations for second-row elements with configurations involving d electrons show that under favourable conditions of spin alignment d atomic orbitals may sometimes be of a suitable size for engaging in molecular bonding. The orbital ene
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::411508e844d788682e97dfb08fa56b55
https://doi.org/10.1002/qua.560010628
https://doi.org/10.1002/qua.560010628
Autor:
Michele Cianci, H.U. Ahmed, J.A. Hubbard, John R. Helliwell, D. W. J. Cruickshank, Matthew P. Blakeley
Publikováno v:
Acta Crystallographica Section D Biological Crystallography. 63:906-922
The protonation states of aspartic acids and glutamic acids as well as histidine are investigated in four X-ray cases: Ni,Ca concanavalin A at 0.94 A, a thrombin-hirugen binary complex at 1.26 A resolution and two thrombin-hirugen-inhibitor ternary c
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::bc06c5f227fc0e8d63a4a4505c36d5bf
https://doi.org/10.1107/s0907444907029976
https://doi.org/10.1107/s0907444907029976
Autor:
D. W. J. Cruickshank
Publikováno v:
Biographical Memoirs of Fellows of the Royal Society (1955-2000). 46:66-84
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::23ede4d6f4c26c5de5780bc16cea6657
https://doi.org/10.1098/rsbm.1999.0106
https://doi.org/10.1098/rsbm.1999.0106
Autor:
D. W. J. Cruickshank
Publikováno v:
Acta Crystallographica Section D Biological Crystallography. 55:583-601
Full-matrix least squares is taken as the basis for an examination of protein structure precision. A two-atom protein model is used to compare the precisions of unrestrained and restrained refinements. In this model, restrained refinement determines
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5ff42927f122f6eb3aa8b796dec3d435
https://doi.org/10.1107/s0907444998012645
https://doi.org/10.1107/s0907444998012645
Publikováno v:
Acta Crystallographica Section B Structural Science. 51:1036-1045
An unexpected disorder has been discovered during an X-ray reinvestigation of the crystal structure of the monocyclic hydrocarbon C 18 H 18 . The study at 80 K by Bregman, Hirshfeld, Rabinovich & Schmidt [Acta Cryst. (1965), 19, 227-234] resulted in
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::719a36c2f7824d4d04e6e61d519bc7bf
https://doi.org/10.1107/s0108768195004927
https://doi.org/10.1107/s0108768195004927
Autor:
D. W. J. Cruickshank
Publikováno v:
International Tables for Crystallography ISBN: 9780470660782
International Tables for Crystallography ISBN: 9780792368571
International Tables for Crystallography ISBN: 9780792368571
Full-matrix least-squares is taken as the basis for an examination of protein-structure precision. A two-atom model is used to compare the precisions of unrestrained and restrained refinements. In this model, restrained refinement determines a bond l
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b54de4f73153344d1ff30a73bf1da476
https://doi.org/10.1107/97809553602060000859
https://doi.org/10.1107/97809553602060000859
Autor:
D W J, CRUICKSHANK
Publikováno v:
Science progress. 35(140)
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::176ae11fc45a8feecd91e93c86c4efaa
https://pubmed.ncbi.nlm.nih.gov/20267573
https://pubmed.ncbi.nlm.nih.gov/20267573
Autor:
D. W. J. Cruickshank
Publikováno v:
Philosophical Transactions of the Royal Society of London. Series A: Physical and Engineering Sciences. 340:169-173
X -ray crystallographic data can be collected rapidly at synchrotrons by the Laue method. The early use of the Laue method by Ewald, Nishikawa, Wyckoff and Pauling is reviewed.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::95e7f0fdb4aba70cfb0be2e281a64098
https://doi.org/10.1098/rsta.1992.0058
https://doi.org/10.1098/rsta.1992.0058
Publikováno v:
Journal of Applied Crystallography. 25:285-293
The parameters d min and λmin, needed for the processing of synchrotron X-ray Laue patterns, may be estimated by simple formulae from the sizes of the clear gaps surrounding prominent zone lines in gnomonic projections. The estimation of λmax is si
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0bcaa9589bf25e94ea365496b37d4011
https://doi.org/10.1107/s0021889891012797
https://doi.org/10.1107/s0021889891012797
Publikováno v:
Journal of Applied Crystallography. 25:294-308
A method is described whereby the unit cell of a crystal and its orientation can be determined from a single Laue diffraction pattern (in transmission). The axial ratios and interaxial angles can be determined precisely, but the absolute scaling of t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::bf0d6682943edd496540ff66d8353c9c
https://doi.org/10.1107/s0021889891012803
https://doi.org/10.1107/s0021889891012803