Concepedia

Thermal decomposition of FOX-7 studied by ab initio molecular dynamics simulations

Yang Liu, Feng Li, Huai Sun

Theoretical Chemistry Accounts · 2014 · 54 citations · 15 references

DOI

Concepts

References

15

Efficient pseudopotentials for plane-wave calculations

N. Troullier, José Luı́s Martins · Physical review. B, Condensed matter · 1991 · 16.1K citations

, , +14

Unified Approach for Molecular Dynamics and Density-Functional Theory

Roberto Car, Michele Parrinello · Physical Review Letters · 1985 · 10.7K citations · Full text

, , +15

Efficient pseudopotentials for plane-wave calculations. II. Operators for fast iterative diagonalization

N. Troullier, José Luı́s Martins · Physical review. B, Condensed matter · 1991 · 752 citations

, , +16

A reciprocal space based method for treating long range interactions in <i>ab initio</i> and force-field-based calculations in clusters

Glenn Martyna, Mark E. Tuckerman · The Journal of Chemical Physics · 1999 · 682 citations

, , +15

α- and β-FOX-7, Polymorphs of a High Energy Density Material, Studied by X-ray Single Crystal and Powder Investigations in the Temperature Range from 200 to 423 K

Jürgen Evers, Thomas M. Klapötke, Péter Mayer et al. · Inorganic Chemistry · 2006 · 208 citations

, , +17