@article{schroeder07a,
        title = {Simulation studies of ionic liquids: orientational correlations and
	static dielectric properties.},
        author = {C. Schr{\"o}der and T. Rudas and O. Steinhauser},
        journal = {J. Chem. Phys.},
        month = {Dec},
        number = 24,
        pages = 244506,
        volume = 125,
        year = 2006,
        url = {http://dx.doi.org/10.1063/1.2404674},
        timestamp = {2007.05.09},
	pmid = {17199354},
	pdf = {._schroeder07a.pdf},
	owner = {otten},
	doi = {10.1063/1.2404674},
	abstract = {The ionic liquids BMIM+I-, BMIM+BF4-, and BMIM+PF6- were simulated
	by means of the molecular dynamics method over a time period of more
	than 100 ns. Besides the common structural analysis, e.g., radial
	distribution functions and three dimensional occupancy plots, a more
	sophisticated orientational analysis was performed. The angular correlation
	functions g(00)110(r) and g(00)101(r) are the first distance dependent
	coefficients of the pairwise orientational distribution function
	g(rij,Omega1,Omega2,Omega12). These functions help to interpret the
	three dimensional plot and reveal interesting insights into the local
	structure of the analyzed ionic liquids. Furthermore, the collective
	network of ionic liquids can be characterized by the Kirkwood factor
	Gkappa(r) [J. Chem. Phys. 7, 911 (1939)]. The short-range behavior
	(r<10 A) of this factor may be suitable to predict the water miscibility
	of the ionic liquid. The long-range limit of Gkinfinity is below
	1 which demonstrates the strongly coupled nature of the ionic liquid
	networks. In addition, this factor relates the orientational structure
	and the dielectric properties of the ionic liquids. The static dielectric
	constant epsilon(omega=0) for the simulated system is 8.9-9.5. Since
	in ionic liquids the very same molecule contributes to the total
	dipole moment as well as carries a net charge, a small, but significant
	contribution of the cross term between the total dipole moment and
	the electric current to epsilon(omega=0) is observed.},
	biburl = {http://www.bibsonomy.org/bibtex/2625dfdc5645067ee3766255ec94e9087/kaigrass},
	keywords = {Ionic Chemical; Molecular; Capacitance; Computer Structure-Activity Simulation; Electric Models, Statistics; Conformation; Relationship Electrostatics; Liquids; Molecular}
}

@article{pugnaloni06a,
        title = {Cluster pair correlation function of simple fluids: energetic connectivity
	criteria.},
        author = {Luis A Pugnaloni and Guillermo J Zarragoicoechea and Fernando Vericat},
        journal = {J. Chem. Phys.},
        month = {November},
        number = 19,
        pages = 194512,
        volume = 125,
        year = 2006,
        timestamp = {2007.02.14},
	pmid = {17129128},
	owner = {olenz},
	doi = {10.1063/1.2378920},
	abstract = {We consider the clustering of Lennard-Jones particles by using an
	energetic connectivity criterion proposed long ago by Hill [J. Chem.
	Phys. 32, 617 (1955)] for the bond between pairs of particles. The
	criterion establishes that two particles are bonded (directly connected)
	if their relative kinetic energy is less than minus their relative
	potential energy. Thus, in general, it depends on the direction as
	well as on the magnitude of the velocities and positions of the particles.
	An integral equation for the pair connectedness function, proposed
	by two of the authors [Phys. Rev. E 61, R6067 (2000)], is solved
	for this criterion and the results are compared with those obtained
	from molecular dynamics simulations and from a connectedness Percus-Yevick-type
	integral equation for a velocity-averaged version of Hill's energetic
	criterion.},
	biburl = {http://www.bibsonomy.org/bibtex/2548ff25801882be89c0078e8045118a0/kaigrass},
	keywords = {Kinetics; Models, Thermodynamics Chemical; Solutions; Size; Transition; Phase Particle}
}

@article{nkodo01a,
        title = {Diffusion coefficient of DNA molecules during free solution electrophoresis.},
        author = {A. E. Nkodo and J. M. Garnier and B. Tinland and H. Ren and C. Desruisseaux and L. C. McCormick and G. Drouin and G. W. Slater},
        journal = {Electrophoresis},
        month = {Aug},
        number = 12,
        pages = {2424--2432},
        volume = 22,
        year = 2001,
        url = {http://dx.doi.org/3.0.CO;2-1},
        timestamp = {2007.06.11},
	pii = {3.0.CO;2-1},
	pmid = {11519946},
	pdf = {Electrophoresis/Electrophoresis-general/nkodo01a.pdf},
	owner = {grass},
	doi = {3.0.CO;2-1},
	abstract = {The free-draining properties of DNA normally make it impossible to
	separate nucleic acids by free-flow electrophoresis. However, little
	is known, either theoretically or experimentally, about the diffusion
	coefficient of DNA molecules during free-flow electrophoresis. In
	fact, many authors simply assume that the Nernst-Einstein relation
	between the mobility and the diffusion coefficient still holds under
	such conditions. In this paper, we present an experimental study
	of the diffusion coefficient of both ssDNA and dsDNA molecules during
	free-flow electrophoresis. Our results unequivocally show that a
	simplistic use of Nernst-Einstein's relation fails, and that the
	electric field actually has no effect on the thermal diffusion process.
	Finally, we compare the dependence of the diffusion coefficient upon
	DNA molecular size to results obtained previously by other groups
	and to Zimm's theory.},
	biburl = {http://www.bibsonomy.org/bibtex/2bffe5cba560a93c7602077b09da6d0b0/kaigrass},
	keywords = {Photochemistry; Benzoxazoles; Chemical; DNA; Heat; Oligodeoxyribonucleotides; Diffusion; Fluorometry; Models, Algorithms; Weight; Electrophoresis, Lasers; Fluorescent Quinolinium Dyes; Single-Stranded; Viral; Compounds Molecular Capillary; DNA,}
}