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International Journal of Molecular Sciences, Volume 4, Issue 12

2003 December - 2 articles

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Article

3 Citations

6,387 Views

9 Pages

Coupled Cluster Calculations of the Ground and Excited Electronic States Using Two- and Four-Component Relativistic Spinors

Rajat K. Chaudhuri

Int. J. Mol. Sci.2003, 4(12), 586-594;https://doi.org/10.3390/i4120586

4 December 2003

The coupled cluster based linear response theory which is applicable to the direct calculation of atomic and molecular properties are presented and applied to compute the ionization potentials and excitation energies of light and moderately heavy ato...

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Article

32 Citations

14,170 Views

12 Pages

Thermodynamic, Structural and Transport Properties of Lennard-Jones Liquid Systems. A Molecular Dynamics Simulations of Liquid Helium, Neon, Methane and Nitrogen

N. Tchouar,
M. Benyettou and
F. Ould Kadour

Int. J. Mol. Sci.2003, 4(12), 595-606;https://doi.org/10.3390/i4120595

4 December 2003

Molecular dynamics calculations are carried out in order to find the properties of Lennard Jones liquids in different state points of their phase diagram. The spherical shape and the stability of the helium, neon, methane and nitrogen make the liquid...

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Int. J. Mol. Sci. - ISSN 1422-0067

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