New analytical scattering‐factor functions for free atoms and ions

By D. Waasmaier, A. Kirfel. 1995

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

Citations in the corpus

Towards automated crystallographic structure refinement with phenix.refine (2012, methodology): “Various X-ray and neutron scattering dictionaries are available (Neutron News, 1992; Maslen et al., 1992; Waasmaier & Kirfel, 1995; Grosse-Kunstleve, Sauter et al., 2004). phenix.refine uses a very efficient and robust algorithm for finding the best values for ksol, Bsol and Ucryst.”
Real-space refinement in PHENIX for cryo-EM and crystallography (2018, methodology): “First, the model density distribution is calculated using one of the available approximations (Neutron News, 1992; Maslen et al., 1992; Waasmaier & Kirfel, 1995; Grosse-Kunstleve, Sauter et al., 2004; Peng et al., 1996; Peng, 1998).”
The interaction of relativistic particles with strong crystalline fields (2005, background): “However, Doyle and Turner did not give data for heavy atoms—data of this type have become available only recently Waasmaier and Kirfel, 1995 .”
Extracting the pair distribution function from white-beam X-ray total scattering data (2011, background): “These in turn derive from tabulations of the X-ray form factor coefficients (Waasmaier & Kirfel, 1995), Compton coefficients (Balyuzi, 1975), and tables of the photon scattering, capture and photoelectron cross sections compiled by a variety of authors (Pratt, 1960; Hubbell, 1969, 1975, 1977a,b;…”
X-ray diffraction from isolated and strongly aligned gas-phase molecules with a free-electron laser (2013, background): “Θ is the scattering angle and 2Θ is the angle between the beam direction and a given detector point [40].”
Dr. Probe: A software for high-resolution STEM image simulation. (2018, methodology): “The calculation of projected potentials agrees down to the numerical singleprecision level (10 -6 ) with those of µSTEM [24] when using the same atomic form factors of Waasmaier & Kirfel [25].”
GudrunN and GudrunX : programs for correcting raw neutron and X-ray diffraction data to differential scattering cross section (2011, background): “The atomic form factors can also be expanded as a series, Waasmaier and Kirfel [1995]:”
Evaluation of models determined by neutron diffraction and proposed improvements to their validation and deposition (2018, methodology): “X-ray (Maslen et al., 1992; Waasmaier & Kirfel, 1995; Grosse-Kunstleve et al., 2004) and neutron (Sears, 1992) scattering tables were used as appropriate.”
VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data (2011, methodology): “Values of f0 calculated from 11 coefficients compiled by Waasmaier & Kirfel (1995) are only reliable enough in the range of (sin )/ 6 Å 1, which corresponds to a spatial resolution of ca 0.042 Å.”
The Scherrer equation and the dynamical theory of X-ray diffraction. (2016, methodology): “The structure factors (F) were calculated using the atomic form factors given by Waasmaier & Kirfel (1995) with the anomalous correction, f 0 and f 0 0 given by Cromer (1970), which for Cu K 1 radiation are f 0(La) = 1.41534, f 0 0(La) = 9.12962, f 0(B) = 0.00934416 and f 0 0(B) = 0.00398772.”