Experimental determination of spin-dependent electron density by joint refinement of X-ray and polarized neutron diffraction data.

scientific article published on 18 September 2012

Experimental determination of spin-dependent electron density by joint refinement of X-ray and polarized neutron diffraction data. is …
instance of (P31):
scholarly articleQ13442814

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P356DOI10.1107/S0108767312031996
P698PubMed publication ID23075610

P2093author name stringClaude Lecomte
Nicolas Claiser
Mohamed Souhassou
Sébastien Pillet
Yurii Chumakov
Béatrice Gillon
Jean Michel Gillet
Pierre Becker
Maxime Deutsch
P2860cites workInhomogeneous Electron GasQ21709392
Roothaan-Hartree-Fock atomic wavefunctionsQ29013759
Generalized X-ray and neutron crystallographic analysis: more accurate and complete structures for biological macromoleculesQ37200953
Wavefunctions derived from experiment. I. Motivation and theory.Q52083111
Net atomic charges and molecular dipole moments from spherical-atom X-ray refinements, and the relation between atomic charge and shapeQ56864456
Testing aspherical atom refinements on small-molecule data setsQ56864457
Spin Density Maps for the Ferrimagnetic Chain Compound MnCu(pba)(H2O)3·2H2O (pba = 1,2-Propylenebis(oxamato)): Polarized Neutron Diffraction and Theoretical StudiesQ58081680
P433issuePt 6
P921main subjectspin polarizationQ962347
X-ray diffractionQ12101244
P304page(s)675-686
P577publication date2012-09-18
P1433published inActa Crystallographica Section A: Foundations and AdvancesQ15708686
P1476titleExperimental determination of spin-dependent electron density by joint refinement of X-ray and polarized neutron diffraction data.
P478volume68

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cites work (P2860)
Q34242635Contemporary X-ray electron-density studies using synchrotron radiation
Q33862120First spin-resolved electron distributions in crystals from combined polarized neutron and X-ray diffraction experiments
Q47106599Insights on spin polarization through the spin density source function
Q26801564Modelling the experimental electron density: only the synergy of various approaches can tackle the new challenges
Q47189705Spin density accuracy and distribution in azido Cu(II) complexes: A source function analysis
Q90427975Spin resolved electron density study of YTiO3 in its ferromagnetic phase: signature of orbital ordering

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