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Cited article:

Molecular Dynamics Simulation of Molecular Crystals under Anisotropic Compression: Bulk and Directional Effects in Anthracene and Paracetamol

Silvia Rizzato, Angelo Gavezzotti and Leonardo Lo Presti
Crystal Growth & Design 20 (11) 7421 (2020)
https://doi.org/10.1021/acs.cgd.0c01098

Exploring polymorphism of benzene and naphthalene with free energy based enhanced molecular dynamics

Elia Schneider, Leslie Vogt and Mark E. Tuckerman
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 72 (4) 542 (2016)
https://doi.org/10.1107/S2052520616007873

Calculation of crystal and molecular structures of carbon disulfide CS2

M.-M. Thiéry and C. Rérat
The Journal of Chemical Physics 122 (4) (2005)
https://doi.org/10.1063/1.1834896

Calculation of crystal and molecular structures of the temperature and pressure polymorphs of para-dichlorobenzene p-C6H4Cl2

M-M. Thiéry and C. Rérat
The Journal of Chemical Physics 118 (24) 11100 (2003)
https://doi.org/10.1063/1.1574312

Computational reconstitution of crystal structures and (p, T) phase diagrams of benzene C6H6and hexachlorobenzene C6Cl6

M.-M. Thiéry and C. Rérat
High Pressure Research 18 (1-6) 353 (2000)
https://doi.org/10.1080/08957950008200991

Calculation of crystal and molecular structures of hexachlorobenzene C6Cl6

M-M. Thiéry and C. Rérat
The Journal of Chemical Physics 109 (24) 10940 (1998)
https://doi.org/10.1063/1.477790

High pressure solid phases of benzene. III. Molecular packing analysis of the crystalline structures of C6H6

M-M. Thiéry and C. Rérat
The Journal of Chemical Physics 104 (22) 9079 (1996)
https://doi.org/10.1063/1.471441

Phase transitions and chemical transformations of benzene up to 550 °C and 30 GPa

François Cansell, Denise Fabre and Jean-Pierre Petitet
The Journal of Chemical Physics 99 (10) 7300 (1993)
https://doi.org/10.1063/1.465711

High pressure solid phases of benzene. II. Calculations of the vibration frequencies and evolution of the bonds in C6H6 and C6D6 up to 20 GPa

M. M. Thiéry, J. M. Besson and J. L. Bribes
The Journal of Chemical Physics 96 (4) 2633 (1992)
https://doi.org/10.1063/1.462014