On the role of data quality in experimental charge-density studies.

On the role of data quality in experimental charge-density studies.

High-resolution X-ray diffraction data were collected at T = 19 K from two similar spherical crystals of the fungal metabolite citrinin, C(13)H(14)O(5). The two data sets were of markedly different quality, one data set (MQ, medium quality) comprising a single octant of the reciprocal lattice and in...

Podrobná bibliografie
Hlavní autoři:	Destro, R, Loconte, L, Lo Presti, L, Roversi, P, Soave, R
Médium:	Journal article
Jazyk:	English
Vydáno:	2004

Podobné jednotky

Anharmonic motions versus dynamic disorder at the Mg ion from the charge densities in pyrope (Mg3Al2Si3O12) crystals at 30 K: six of one, half a dozen of the other
Autor: Destro, R, a další
Vydáno: (2017)

Experimental Charge Density Analysis and Electrostatic Properties of Crystalline 1,3-Bis(Dimethylamino)Squaraine and Its Dihydrate from Low Temperature (T = 18 and 20 K) XRD Data
Autor: Riccardo Destro, a další
Vydáno: (2020-10-01)

Anharmonic Thermal Motion Modelling in the Experimental XRD Charge Density Determination of 1-Methyluracil at T = 23 K
Autor: Riccardo Destro, a další
Vydáno: (2021-05-01)

Experimental charge density of alpha-glycine at 23 K
Autor: Destro, R, a další
Vydáno: (2000)

On the charge density refinement of odd-order multipoles invariant under crystal point group symmetry
Autor: Roversi, P, a další
Vydáno: (2017)

Charge density in crystalline citrinin from X-ray diffraction at 19 K
Autor: Roversi, P, a další
Vydáno: (1996)

Two 1,5-disubstituted proline esters
Autor: Soave, R, a další
Vydáno: (1997)

Accurate charge-density studies as an extension of Bayesian crystal structure determination
Autor: Roversi, P, a další
Vydáno: (1998)

On the solubility of azodicarbonamide in water/DMSO mixtures: an experimental and computational study
Autor: Giovanni Macetti, a další
Vydáno: (2024-06-01)

Approximate anisotropic displacement parameters for H atoms in molecular crystals
Autor: Roversi, P, a další
Vydáno: (2004)

A new monoclinic polymorph of 3-diethylamino-4-(4-methoxyphenyl)-1,1-dioxo-4H-1&#955;6,2-thiazete-4-carbonitrile
Autor: Ahmed M. Orlando, a další
Vydáno: (2010-08-01)

Exact solution of the envelope equations for a matched quadrupole-focused beam in the zero space-charge limit
Autor: O. A. Anderson, a další
Vydáno: (2009-05-01)

Experimental charge density of grossular under pressure – a feasibility study
Autor: Roman Gajda, a další
Vydáno: (2020-05-01)

Geometry and molecular parameters of 3,4-bis(dimethylamino)-3-cyclobutene-1,2-dione and its isomer bis(dimethylamino)squaraine - Combined study by IR spectroscopy, XRD and ab initio MO calculations
Autor: Lunelli, B, a další
Vydáno: (1996)

Geometry and molecular parameters of 3,4-bis(dimethylamino)-3-cyclobutene-1,2 and its isomer bis(dimethylamino)squaraine - Combined study by IR spectroscopy, XRD and ab initio MO calculations (vol 92, pg 3611, 1996)
Autor: Lunelli, B, a další
Vydáno: (1997)

The Relevance of Experimental Charge Density Analysis in Unraveling Noncovalent Interactions in Molecular Crystals
Autor: Sajesh P. Thomas, a další
Vydáno: (2022-06-01)

Spin Density Topology
Autor: Giovanna Bruno, a další
Vydáno: (2020-08-01)

First Experimental Quantitative Charge Density Studies of Advanced Intermediate of Vitamin D Analogues
Autor: Monika Wanat, a další
Vydáno: (2022-03-01)

Fixed charge density and cartilage biornechanics
Autor: Wilkins, R, a další
Vydáno: (2002)

Charge properties of low density lipoprotein subclasses
Autor: M La Belle, a další
Vydáno: (1997-04-01)

Charge density waves tuned by biaxial tensile stress
Autor: A. Gallo–Frantz, a další
Vydáno: (2024-04-01)

Formation of Incommensurate Charge Density Waves in Cuprates
Autor: H. Miao, a další
Vydáno: (2019-09-01)

Experimental charge density study into C-C σ-interactions in a Binor-S rhodium complex.
Autor: Sparkes, H, a další
Vydáno: (2011)

[Rh(C7H8)(PPh3)Cl]: an experimental charge-density study.
Autor: Sparkes, H, a další
Vydáno: (2008)

Unraveling the impact of self-esteem on the utilization of Instagram filters: the mediating role of fear of negative evaluation
Autor: Calogero Lo Destro
Vydáno: (2024-04-01)

Validation of experimental charge-density refinement strategies: when do we overfit?
Autor: Lennard Krause, a další
Vydáno: (2017-07-01)

Revival of Charge Density Waves and Charge Density Fluctuations in Cuprate High-Temperature Superconductors
Autor: Carlo Di Castro
Vydáno: (2020-11-01)

Nonequilibrium charge-density-wave order beyond the thermal limit
Autor: J. Maklar, a další
Vydáno: (2021-05-01)

Effect of Framework Charge Density on the Ion Exchange Properties of Zeolites
Autor: R. P. Townsend, a další
Vydáno: (1984-12-01)

Role of Protein Charge Density on Hepatitis B Virus Capsid Formation
Autor: Xinyu Sun, a další
Vydáno: (2018-04-01)

Recovering experimental and theoretical electron densities in corundum using the multipolar model: IUCr Multipole Refinement Project.
Autor: Pillet, S, a další
Vydáno: (2001)

Malleability of uranium: Manipulating the charge-density wave in epitaxial films
Autor: Springell, R, a další
Vydáno: (2014)

Shape of the hot topological charge density spectral function
Autor: M. Laine, a další
Vydáno: (2022-11-01)

Results for charged disks with different forms of surface charge density
Autor: Orion Ciftja
Vydáno: (2020-03-01)

On the induced charge density distribution in streaming plasmas
Autor: Zh. A. Moldabekov, a další
Vydáno: (2019-01-01)

An experimental study on passive charge balancing
Autor: K. Sooksood, a další
Vydáno: (2009-05-01)

Orbital-selective charge-density wave in TaTe4
Autor: R. Z. Xu, a další
Vydáno: (2023-08-01)

Quantum crystallographic charge density of urea
Autor: Michael E. Wall
Vydáno: (2016-07-01)

Short-range correlations and the charge density
Autor: Ronen Weiss, a další
Vydáno: (2019-03-01)

Persistent order due to transiently enhanced nesting in an electronically excited charge density wave
Autor: L. Rettig, a další
Vydáno: (2016-01-01)