Considerable effort has been invested in developing methods for predicting the crystalline
structure (s) of a given compound, ideally starting from no more than a structural formula of …

A computational method of predicting all the polymorphs of an organic molecule would be a
valuable complement to polymorph screening in the developmental phase. Such a …

The theory of intermolecular forces has advanced very greatly in recent years. It has become
possible to carry out accurate calculations of intermolecular forces for molecules of useful …

The available data on the van der Waals radii of atoms in molecules and crystals are
summarized. The nature of the continuous variation in interatomic distances from van der …

A geometrical analysis has been performed on π–π stacking in metal complexes with
aromatic nitrogen-containing ligands based on a Cambridge Structural Database search …

The objective of this review is to serve as an introductory guide for the non-expert to the
exciting field of Molecular Dynamics (MD). MD simulations generate a phase space …

“No”: by just writing down this concise statement, in what would be the first one-word paper
in the chemical literature, one could safely summarize the present state of affairs, earn an …

Polymorphism − A Perspective | Crystal Growth & Design ACS ACS Publications C&EN CAS
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The two-volume Encyclopedia of Supramolecular Chemistry offers authoritative, centralized
information on a rapidly expanding interdisciplinary field. User-friendly and high-quality …

The geometrical properties of intermolecular XH—Y (X, Y= N, O) hydrogen bonds in organic
crystals have been statistically analyzed using crystal data from the Cambridge Structural …