Charge Density Analysis of an Organic Ferroelectric. Croconic Acid: an Experimental and Theoretical Study

Testing the Concept of Hypervalency: Charge Density Analysis of K2SO4

(2012) Mette S. Schmøkel et al.   INORGANIC CHEMISTRY

Structural, electronic and ferroelectric properties of croconic acid crystal: a DFT study

(2012) Domenico Di Sante et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Importance of the consideration of anharmonic motion in charge-density studies: a comparison of variable-temperature studies on two explosives, RDX and HMX

(2011) Vladimir V. Zhurov et al.   ACTA CRYSTALLOGRAPHICA SECTION A

On the transferability of QTAIMC descriptors derived from X-ray diffraction data and DFT calculations: substituted hydropyrimidine derivatives

(2011) A. A. Rykounov et al.   ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE

Matrix-assisted pulsed laser deposition of croconic acid, a diprotic organic ferroelectric

(2011) S. M. O’Malley et al.   APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING

Fingerprints of the hydrogen bond in the photoemission spectra of croconic acid condensed phase: An x-ray photoelectron spectroscopy and ab-initio study

(2011) F. Bisti et al.   JOURNAL OF CHEMICAL PHYSICS

Experimental and Theoretical Charge Density Studies at Subatomic Resolution

(2011) A. Fischer et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Density functional theoretical studies of the isomers of croconic acid and their dimers

(2011) C.N. Ramachandran et al.   Computational and Theoretical Chemistry

Above-room-temperature ferroelectricity in a single-component molecular crystal

(2010) Sachio Horiuchi et al.   NATURE

Charge Density and Electrostatic Interactions of Fidarestat, an Inhibitor of Human Aldose Reductase

(2009) Bertrand Fournier et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Optimization and evaluation of data quality for charge density studies

(2008) Vladimir V. Zhurov et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Physicochemical Properties of Zwitterionicl- anddl-Alanine Crystals from Their Experimental and Theoretical Charge Densities

(2008) Riccardo Destro et al.   JOURNAL OF PHYSICAL CHEMISTRY B