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physics.chem-ph2009★ 56 cited
An optimized molecular model for ammonia
B. Eckl, J. Vrabec, H. Hasse
An optimized molecular model for ammonia, which is based on a previous work of Kristoef et al., Mol. Phys. 97 (1999) 1129--1137, is presented. Improvements are achieved by includin…
physics.chem-ph2009
Comprehensive study of the vapour-liquid equilibria of the pure two-centre Lennard-Jones plus pointquadrupole fluid
J. Stoll, J. Vrabec, H. Hasse
Results of a systematic investigation of the vapour-liquid equilibria (VLE) of 30 individual two-centre Lennard-Jones plus pointquadrupole model fluids (2CLJQ) are reported over a…