Results 41 to 50 of about 1,633 (182)

Thermophysical Properties of Light and Heavy Water from Second Virial Coefficient; Isotopic Substitution Effect [PDF]

Journal of Nuclear Research and Applications
In this paper, some thermophysical properties of light and heavy water will be predicted and modeled using the virial equation of state (VEOS), and the effect of isotopic substitution will be studied.
M. Najafi, S. Ammari Allahyari
doaj   +1 more source

The Virial Expansion of the Hydrogen Equation of State in Comparison to PIMC Simulations: The Quasiparticle Concept, IPD, and Ionization Degree

Contributions to Plasma Physics, EarlyView.
ABSTRACT The properties of plasmas in the low‐density limit are described by virial expansions. Analytical expressions are known for the lowest virial coefficients from Green's function approaches. Recently, accurate path‐integral Monte Carlo (PIMC) simulations were performed for the hydrogen plasma at low densities by Filinov and Bonitz (Phys. Rev.
Gerd Röpke, Chengliang Lin, W. Ebeling, H. Reinholz   +3 more
wiley   +1 more source

Determination of chain conformation of polysaccharides using a SEC‐MALLS‐Vis

Food Biomacromolecules, EarlyView.
Abstract For polysaccharides, biological activity is associated with the chemical structure as well as the chain conformation. The chain conformation is conventionally derived from the scaling relationships between weight‐average molecular weight (Mw) and intrinsic viscosity ([η]) or the radius of gyration (Rg) or the translational diffusion ...
Xuan Li, Manli Cui, Yan Meng, Xiaojuan Xu   +3 more
wiley   +1 more source

Morse oscillator equation of state: An integral equation theory based with virial expansion and compressibility terms

Heliyon, 2022
A number of interaction energy types are employed in the vibrations studies, especially in the spectroscopic analysis, such as the harmonic oscillator and Morse oscillator.
Marwan Al-Raeei
doaj   +1 more source

Too close for comfort: Self‐crowding transforms protein structure and stability beyond volume exclusion

Protein Science, Volume 35, Issue 6, June 2026.
Abstract Proteins operate in crowded physiological environments, yet their conformational and oligomeric states are largely inferred from experiments performed under dilute buffer conditions. Here, we show that for lysozyme (LYS) and bovine serum albumin (BSA), self‐crowding at physiologically relevant concentrations alters protein structure and ...
Gil I. Olgenblum, Yehonatan N. Levy, Daniel Harries   +2 more
wiley   +1 more source

Thermodynamic Fluid Equations-of-State

Entropy, 2018
As experimental measurements of thermodynamic properties have improved in accuracy, to five or six figures, over the decades, cubic equations that are widely used for modern thermodynamic fluid property data banks require ever-increasing numbers of terms
Leslie V. Woodcock
doaj   +1 more source

Investigating the role of a conserved hydrophobic pocket of gp41 in the anti‐HIV activity of fusion inhibitors

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, Mario Cano‐Muñoz, Laura Sánchez‐Martínez, Sara Lestani, Christiane Moog, Thomas Decoville, María Carmen Salinas‐García, José Antonio Gavira, Ana Cámara‐Artigas, Francisco Conejero‐Lara   +9 more
wiley   +1 more source

Particle Projection Using a Complex Langevin Method

EPJ Web of Conferences, 2018
Using complex stochastic quantization, we implement a particle-number projection technique on the partition function of spin-1/2 fermions at finite temperature on the lattice.
Shill Christopher R., Drut Joaquín E.
doaj   +1 more source

A Density Functional Theory‐Based Investigation of a pH‐ and Redox‐Driven Tristable [2]Rotaxane in CH2Cl2 Dilute Solution

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, Nico Sanna, Stefano Borocci, Felice Grandinetti   +3 more
wiley   +1 more source

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, Tom Erik Steinkopf, Daniel Sebastiani   +2 more
wiley   +1 more source