How focussing on hydrogen bonding interactions in amino acids can miss the bigger picture: a high-pressure neutron powder diffraction study of ε-glycine

Intermolecular atom–atom bonds in crystals?

(2015) Jack D. Dunitz   IUCrJ

Intermolecular atom–atom bonds in crystals – a chemical perspective

(2015) Tejender S. Thakur et al.   IUCrJ

Assessing the performance of density functional theory in optimizing molecular crystal structure parameters

(2014) Jack Binns et al.   Acta Crystallographica Section B-Structural Science Crystal Engineering and Materials

“Coulombic Compression”, a Pervasive Force in Ionic Solids. A Study of Anion Stacking in Croconate Salts

(2013) J. D. Dunitz et al.   CRYSTAL GROWTH & DESIGN

The “sceptical chymist”: intermolecular doubts and paradoxes

(2013) Angelo Gavezzotti   CRYSTENGCOMM

Evaluation of molecular crystal structures using Full Interaction Maps

(2012) Peter A. Wood et al.   CRYSTENGCOMM

Dynamics and Thermodynamics of Crystalline Polymorphs: α-Glycine, Analysis of Variable-Temperature Atomic Displacement Parameters

(2012) Thammarat Aree et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Proteogenic Amino Acids: Chiral and Racemic Crystal Packings and Stabilities

(2012) J. D. Dunitz et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Efficient computer modeling of organic materials. The atom–atom, Coulomb–London–Pauli (AA-CLP) model for intermolecular electrostatic-polarization, dispersion and repulsion energies

(2011) Angelo Gavezzotti   NEW JOURNAL OF CHEMISTRY

Efficient evaluation of triple excitations in symmetry-adapted perturbation theory via second-order Møller–Plesset perturbation theory natural orbitals

(2010) Edward G. Hohenstein et al.   JOURNAL OF CHEMICAL PHYSICS

Density fitting of intramonomer correlation effects in symmetry-adapted perturbation theory

(2010) Edward G. Hohenstein et al.   JOURNAL OF CHEMICAL PHYSICS

Hydrogen-bond directionality at the donor H atom—analysis of interaction energies and database statistics

(2009) Peter A. Wood et al.   CRYSTENGCOMM

Azobenzene at coinage metal surfaces: Role of dispersive van der Waals interactions

(2009) Erik R. McNellis et al.   PHYSICAL REVIEW B

Accurate Molecular Van Der Waals Interactions from Ground-State Electron Density and Free-Atom Reference Data

(2009) Alexandre Tkatchenko et al.   PHYSICAL REVIEW LETTERS

Importance of Vibrational Zero-Point Energy Contribution to the Relative Polymorph Energies of Hydrogen-Bonded Species

(2008) Sharon A. Rivera et al.   CRYSTAL GROWTH & DESIGN

Hirshfeld surface analysis

(2008) Mark A. Spackman et al.   CRYSTENGCOMM

Mercury CSD 2.0– new features for the visualization and investigation of crystal structures

(2008) Clare F. Macrae et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Structure−Property Relationships in the Crystals of the Smallest Amino Acid: An Incoherent Inelastic Neutron Scattering Study of the Glycine Polymorphs

(2008) Heloisa N. Bordallo et al.   JOURNAL OF PHYSICAL CHEMISTRY B

High Pressure Raman Spectroscopic Study of Deuterated γ-Glycine

(2008) Ajay K. Mishra et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Structure solution and refinement from powder or single-crystal diffraction data? Pros and cons: An example of the high-pressure β′-polymorph of glycine

(2008) Nickolay A. Tumanov et al.   POWDER DIFFRACTION