Results 61 to 70 of about 25,110 (216)
Density scaling of generalized Lennard-Jones fluids in different dimensions
SciPost Physics, 2020 Liquids displaying strong virial-potential energy correlations conform to an approximate density scaling of their structural and dynamical observables. These scaling properties do not extend to the entire phase diagram, in general. The validity of the
Thibaud Maimbourg, Jeppe C. Dyre, Lorenzo Costigliola
doaj +1 more source
Protein Science, Volume 35, Issue 6, June 2026.Abstract Membrane fusion between HIV and host cells requires interaction between the N‐terminal and C‐terminal repeat regions (NHR and CHR) of the gp41 envelope subunit. A deep hydrophobic pocket (HP) on the surface of NHR is considered crucial in this interaction.
Daniel Polo‐Megías +9 more
wiley +1 more source
Virial expansion with Feynman diagrams
, 2011 We present a field theoretic method for the calculation of the second and third virial coefficients b2 and b3 of 2-species fermions interacting via a contact interaction. The method is mostly analytic. We find a closed expression for b3 in terms of the 2
A. A. Abrikosov +6 more
core +1 more source
Semiclassical corrections to the interaction energy of a hard-sphere Boltzmann gas [PDF]
, 2006 Quantum effects in statistical mechanics are important when the thermal wavelength is of the order of, or greater than, the mean interatomic spacing. This is examined at depth taking the example of a hard-sphere Boltzmann gas.
Beth E +11 more
core +1 more source
ChemistryOpen, Volume 15, Issue 5, May 2026.A recently proposed pH‐ and redox‐driven tristable [2]rotaxane in CH2Cl2 dilute solution is investigated, combining converged Density Functional Theory (DFT)‐based electronic eigenstates. The theoretical picture that has emerged allows to identify the local supramolecular interaction patterns capable of modulating the mutual position of a DB24C8 ...
Costantino Zazza +3 more
wiley +1 more source
The Virial Effect—Applications for SF6 and CH4 Thermal Plasmas
Applied Sciences, 2019 A tool based on the mass action law was developed to calculate plasma compositions and thermodynamic properties for pure gases and mixtures, assuming a local thermodynamic equilibrium for pressures of up to 300 bar.
Andriniaina Harry Solo +2 more
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What Does the Geometry of the Hβ BLR Depend On?
The Astrophysical Journal, 2023 We combine our dynamical modeling black-hole mass measurements from the Lick AGN Monitoring Project 2016 sample with measured cross-correlation time lags and line widths to recover individual scale factors, f , used in traditional reverberation-mapping ...
Lizvette Villafaña +39 more
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Chemical Thermodynamics and Thermal Analysis, 2022 Excess internal pressure of solution and excess partial molar volume of solute data embedded in the parameter reversible isothermal work (W) have been used to calculate the ion–ion pair correlation functions (gij(r), r being distance) and the ...
Preeti A. Tomar +2 more
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The Lick AGN Monitoring Project 2011: Dynamical Modeling of the Broad Line Region in Mrk 50 [PDF]
, 2012 We present dynamical modeling of the broad line region (BLR) in the Seyfert 1 galaxy Mrk 50 using reverberation mapping data taken as part of the Lick AGN Monitoring Project (LAMP) 2011.
A. M. Nierenberg +63 more
core +3 more sources
Molecular Origins of Philicity: How Atomic Interactions Determine Miscibility and Diffusivity
ChemPhysChem, Volume 27, Issue 8, 28 April 2026.Alterations in the atomic philicity, as represented by Lennard–Jones parameters, determine the miscibility of an alkane‐perfluoroalkane system. Some parameters enhance mixing, while others enhance phase separation.We present a computational study on the microscopic origin of molecular philicity, which determines the miscibility and diffusivity of ...
Anna Luisa Upterworth +2 more
wiley +1 more source