The mechanical properties of oxalic acid dihydrate and anhydrous oxalic acid (α and β
polymorphic forms) were obtained by using rigorous theoretical solid-state methods based …

A detailed study of the behavior under pressure of four important organic acids using the first-
principles solid-state methodology is presented. These organic acids are the L-(+)-lactic …

The structural and mechanical properties of the deltic, squaric and croconic cyclic oxocarbon
acids were obtained using theoretical solid-state methods based in Density Functional …

ZnNi (CN) 4 is a three-dimensional (3D) framework material consisting of two
interpenetrating PtS-type networks in which tetrahedral [Zn N 4] units are linked by square …

The crystal structure and mechanical properties of silver oxalate, Ag2C2O4, are determined
using first‐principles solid‐state methods. The set of calculated mechanical properties …

In this study, we challenge the previously commonly used empirical rule of thumb to explain
the abnormal compressive behaviors observed in Zn M (CN) 4 (M= Ni, Pd) compounds …

The mechanical properties of the uranyl squarate monohydrate material,, were studied using
theoretical solid-state methods based in density functional theory employing plane waves …

Spin-ices are frustrated magnets that support a particularly rich variety of emergent physics.
Typically, it is the interplay of magnetic dipole interactions, spin anisotropy, and geometric …

Flat layers are usually considered as structurally rigid motifs in two-dimensional (2D)
materials. In this work, we demonstrate that a flat honeycomb-layer composed of distorted tri …

The crystal structures and elastic properties of the anhydrous zinc and cadmium oxalates
and lead oxalate dihydrate are determined using rigorous first-principles solid-state …