Zobrazeno 1 - 10 of 61 pro vyhledávání: '"B. N. Figgis"'
1
X-ray−Neutron Study of the Electron Density in Diammonium Hexaaquairon(II) Disulfate-d20 at 10.5 K and the Success of Ligand Field Modeling
Autor: and A. J. Schultz, Alexandre N. Sobolev, D. M. Young, Philip A. Reynolds, B. N. Figgis
Publikováno v: Journal of the American Chemical Society. 120:8715-8723
We have obtained an X-ray diffraction data set at 10.5(5) K and a neutron diffraction data set at 12(2) K for the title compound. The atomic positional and displacement parameters derived from the two data sets agree satisfactorily, as the very low t
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::da5a7ae57286b452d4c03826d2677a4e
https://doi.org/10.1021/ja9739805
Zobrazit plný text záznamu
2
Spin Transfer through Hydrogen Bonding in [CO(NH3)5(OH2)][Cr(CN)6] ?
Autor: B. N. Figgis, M. Vrtis, E. S. Kucharski
Publikováno v: Zeitschrift für Naturforschung A. 48:123-126
A polarised-neutron diffraction experiment on [Co(NH3)5(H2O)][Cr(CN)6] shows the unexpected features of spin populations on the cobalt ((0.5(2) e) and the "ammine" hydrogen (0.8(1) e in total) atoms. A local density approximation DV-Xα calculation o
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::2b101283ac62acb610dd543b61694c56
https://doi.org/10.1515/zna-1993-1-228
Zobrazit plný text záznamu
4
On covalence in anhydrous copper (II) sulphate from polarized neutron diffraction
Autor: B N Figgis, P A Reynolds
Publikováno v: Journal of Physics: Condensed Matter. 3:1977-1983
Existing polarized neutron diffraction data on anhydrous copper sulphate has been reanalysed. Covalence of about 23(5)% is observed. The spin is delocalized predominantly along the shortest Cu-O(3) bond, reaching the S atom. This provides a pathway f
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::725789f23b1f111fcbda58d6aecb112b
https://doi.org/10.1088/0953-8984/3/13/001
Zobrazit plný text záznamu
5
Covalency in FeF2from magnetisation density data and from ab initio theory
Autor: P A Reynolds, P J Brown, B N Figgis
Publikováno v: Journal of Physics: Condensed Matter. 2:5297-5308
A further analysis of the polarised neutron diffraction data on FeF2 has been carried out using a valence orbital population model of the spin density. The fit to the data, chi 2=1.8 for all reflections, is considerably better than for ligand field m
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::aade12725eec719a6cd519f069541466
https://doi.org/10.1088/0953-8984/2/24/002
Zobrazit plný text záznamu
7
Charge, spin and theoretical densities in transition metal complexes
Autor: B. N. Figgis
Publikováno v: Proceedings / Indian Academy of Sciences. 102:403-414
The results of diffraction experiments, of X-rays to give charge density and of polarised neutrons to give spin density, are compared between themselves and with the theoretical density obtained by a local density unrestricted Hartree-Fock calculatio
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::c4d1ec960527d217b342847a484fc006
https://doi.org/10.1007/bf02841952
Zobrazit plný text záznamu
9
Na2Fe(CN)5(NO).2D2O at 11 and 293 K by X-ray, and at 15 K by neutron diffraction
Autor: A J, Schultz, B N, Figgis, A N, Sobolev
Publikováno v: Acta crystallographica. Section C, Crystal structure communications.
The crystal structure of Na(2)Fe(CN)(5)(NO).2D(2)O, disodium pentacyanonitrosylferrate(III) bis(dideuterium oxide), has been determined by X-ray diffraction at 11 and 293 K, and by neutron diffraction at 15 K. The accurate and extensive data sets lea
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid________::56a3c6852236ce1b13b2a45855d6a9b3
https://pubmed.ncbi.nlm.nih.gov/11077270
Zobrazit plný text záznamu

Vyhledávací nástroje:

Upřesnit hledání

Omezení vyhledávání
Plný text Recenzováno Digitální knihovna AV ČR
Zdroje