Comment on “New statistical mechanical model for calculating Kirkwood factors in self-associating liquid systems and its application to alkanol+cyclohexane mixtures” [J. Chem. Phys. 127, 114501 (2007)]

Comment on "New phase for one-component hard spheres" [J. Chem. Phys. 120, 11686 (2004)].

In a recent paper, Wu and Sadus claim the existence of a new third thermodynamic stable phase for a hard sphere system based on computer simulations. The phase is obtained via a slow compression of near-freezing configurations, and is found at volume fractions between h50.508 and h50.686. The claim that this phase is neither liquid nor solid, is based on the observation that the compressibility...

Comment on ‘ ‘ Surface diffusion near the points corresponding to continuous phase transitions ’ ’ † J . Chem . Phys .

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Comment on "Quasirelativistic theory equivalent to fully relativistic theory" [J. Chem. Phys. 123, 241102 (2005)].

The connection between the exact quasirelativistic approach developed in the title reference [W. Kutzelnigg and W. Liu, J. Chem. Phys. 123, 241102 (2005)] and the method of elimination of the small component in matrix form developed previously by Dyall is explicitly worked out. An equation that links Hermitian and non-Hermitian formulations of the exact quasirelativistic theory is derived. Besi...

Comment on "multireference configuration-interaction calculations for positronium halides" [J. Chem. Phys. 122, 054302 (2005)].

Comment on "A centroid molecular dynamics study of liquid para hydrogen and ortho deuterium" [J. Chem. Phys. 121, 6412 (2004)].

We show that the two phase points considered in the recent simulations of liquid para hydrogen by Hone and Voth lie in the liquid-vapor coexistence region of a purely classical molecular dynamics simulation. By contrast, their phase point for ortho deuterium was in the one-phase liquid region for both classical and quantum simulations. These observations are used to account for their report tha...