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Role of steric and electrostatic effects in the short-range order of quasitetrahedral molecular liquids

Autor
Pothoczki, S.; Ottochian, A.; Rovira, M.; Pardo, L.; Tamarit, J. Ll.; Cuello, G.
Tipus d'activitat
Article en revista
Revista
Physical review B: condensed matter and materials physics
Data de publicació
2012-01-01
Volum
85
Número
1
Pàgina inicial
014202-1
Pàgina final
014202-9
DOI
https://doi.org/10.1103/PhysRevB.85.014202 Obrir en finestra nova
Repositori
http://hdl.handle.net/2117/14760 Obrir en finestra nova
URL
http://prb.aps.org/pdf/PRB/v85/i1/e014202 Obrir en finestra nova
Resum
The study of how both steric and electrostatic interactions affect the structure of liquids formed by quasitetrahedral molecules has been undertaken in this work. We have studied trichlorobromomethane (CBrCl3) and dibromodichloromethane (CBr2Cl2), both displaying a dipole along their C3v and C2v molecular symmetry axes, respectively. The short-range order of the liquid state has been determined using neutron diffraction experiments that were modeled through the reverse Monte Carlo (RMC) techniqu...
Citació
Pothoczki, S. [et al.]. Role of steric and electrostatic effects in the short-range order of quasitetrahedral molecular liquids. "Physical review B: condensed matter and materials physics", 01 Gener 2012, vol. 85, núm. 1, p. 014202-1-014202-9.
Grup de recerca
CRnE - Centre de Recerca en Ciència i Enginyeria Multiescala de Barcelona
GCM - Grup de Caracterització de Materials

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