Probing the geometric structures and bonding mechanisms of Cu-I hybrid clusters: Cu₄I₄^-/o

First principles study of LiAlO₂: new dense monoclinic phase under high pressure

Computational Studies on the Sc_nN_m (n + m=10) Clusters: Structure, Electronic and Vibrational Propertie

Computational Studies on the ScnNm (n + m=10) Clusters: Structure, Electronic and Vibrational Properties

Studying the properties of a predicted tetragonal silicon by first principles

Phase Transition and Physical Properties of InS

Computational Prediction to Two-Dimensional SnAs

Structural, elastic, electronic and thermodynamic properties of ZrB₂ under high-pressure: First-principle study

Computational prediction of two-dimensional monolayer B6C₂P₂ by the global optimization method

A Potential Superhard Material m-BCN