Exploiting the full quantum crystallography

Quantum crystallography: A perspective

(2017) Lou Massa et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Single determinant N -representability and the kernel energy method applied to water clusters

(2017) Walter Polkosnik et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Quantum crystallography

(2017) Simon Grabowsky et al.   Chemical Science

How Reliable Are Intermolecular Interaction Energies Estimated from Topological Analysis of Experimental Electron Densities?

(2015) Mark A. Spackman   CRYSTAL GROWTH & DESIGN

Modelling the experimental electron density: only the synergy of various approaches can tackle the new challenges

(2015) Piero Macchi et al.   IUCrJ

First spin-resolved electron distributions in crystals from combined polarized neutron and X-ray diffraction experiments

(2014) Maxime Deutsch et al.   IUCrJ

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

(2012) Maxime Deutsch et al.   ACTA CRYSTALLOGRAPHICA SECTION A

The Physics behind Chemistry and the Periodic Table

(2011) Pekka Pyykkö   CHEMICAL REVIEWS

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

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

Elucidation of the Phosphate Binding Mode of DING Proteins Revealed by Subangstrom X-ray Crystallography

(2009) Dorothee Liebschner et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Capturing and Analyzing the Excited-State Structure of a Cu(I) Phenanthroline Complex by Time-Resolved Diffraction and Theoretical Calculations

(2009) Ivan I. Vorontsov et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Theoretical chemistry of gold. III

(2008) Pekka Pyykkö   CHEMICAL SOCIETY REVIEWS