Results 171 to 180 of about 3,568,782 (253)

Density-Functional Theory for the Dicke Hamiltonian. [PDF]

J Stat Phys
Bakkestuen VH, Csirik MA, Laestadius A, Penz M.   +3 more
europepmc   +1 more source

Quantifying ion-ion association in mixed electrolyte systems using bulk thermodynamic experimental data. [PDF]

J Chem Phys
Ploetz EA, Smith PE.
europepmc   +1 more source

Chemical Information From the Ehrenfest Force Field Based on Reduced Density Matrix Functional Theory. [PDF]

J Comput Chem
Mortera-Carbonell AJ, Hernández-Trujillo J, Francisco E, Pendás AM.   +3 more
europepmc   +1 more source

Imaging the Rovibrational Ground State of the Helium-Neon Dimers ⁴He²⁰Ne and ⁴He²²Ne. [PDF]

J Phys Chem Lett
Kruse J, Schröder J, Blume D, Dörner R, Kunitski M.   +4 more
europepmc   +1 more source

Application of the osmotic virial equation in cryobiology

Cryobiology, 2010
The multisolute osmotic virial equation is the only multisolute thermodynamic solution theory that has been derived from first principles and can make predictions of multisolute solution behaviour in the absence of multisolute solution data. Other solution theories either (i) include simplifying assumptions that do not take into account the ...
Elliott, J. A., Prickett, R. C., McGann, L. E.   +2 more
semanticscholar   +5 more sources

Virial equation of state as a new frontier for computational chemistry

The Journal of Chemical Physics, 2022
The virial equation of state (VEOS) provides a rigorous bridge between molecular interactions and thermodynamic properties. The past decade has seen renewed interest in the VEOS due to advances in theory, algorithms, computing power, and quality of molecular models.
Andrew J. Schultz, David A. Kofke
openaire   +3 more sources

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Adequacy of the virial equation of state and cluster expansion

Physical Review E, 2013
The limits for the accuracy of the virial expansion and the problem of its divergence have been investigated using the exact cluster expansion of the configuration integral. In the subcritical temperature regimes the virial equation of state is applicable up to the singularity point of the isothermal compressibility, i.e., to the possible beginning of ...
M. Ushcats
openaire   +3 more sources

The Virial Equation

The Newman Lectures on Thermodynamics, 2019
John Newman, Vincent Battaglia
openaire   +2 more sources