Concepedia

Naphthalene crystal shape prediction from molecular dynamics simulations

Zoran Bjelobrk, Pablo M. Piaggi, Thilo Weber, Tarak Karmakar, Marco Mazzotti, Michele Parrinello

CrystEngComm · 2019 · 30 citations · 46 references

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Concepts

Abstract

The crystal shape of naphthalene grown from ethanol solution at constant supersaturation was predicted using state-of-the-art molecular dynamics simulations.

References

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