Results 81 to 90 of about 1,633 (182)

Calculation of Second Virial Coefficients of Atomistic Proteins Using Fast Fourier Transform. [PDF]

J Phys Chem B, 2019
Qin S, Zhou HX.
europepmc   +1 more source

Fully quantum calculation of the second and third virial coefficients of water and its isotopologues from ab initio potentials. [PDF]

Faraday Discuss, 2018
Garberoglio G, Jankowski P, Szalewicz K, Harvey AH.   +3 more
europepmc   +1 more source

Communication: Predicting virial coefficients and alchemical transformations by extrapolating Mayer-sampling Monte Carlo simulations. [PDF]

J Chem Phys, 2017
Hatch HW, Jiao S, Mahynski NA, Blanco MA, Shen VK.   +4 more
europepmc   +1 more source

Path-Integral Calculation of the Second Dielectric and Refractivity Virial Coefficients of Helium, Neon, and Argon.

J Res Natl Inst Stand Technol, 2020
Garberoglio G, Harvey AH.
europepmc   +1 more source

All-dimensional H₂-CO potential: Validation with fully quantum second virial coefficients. [PDF]

J Chem Phys, 2017
Garberoglio G, Jankowski P, Szalewicz K, Harvey AH.   +3 more
europepmc   +1 more source

Second Virial Coefficients for N₂···H₂ and NH···NH. [PDF]

J Phys Chem A
Alves MDS, Ballester MY.
europepmc   +1 more source

Mixtures of two self- and mutually-associating liquids: Phase behavior, second virial coefficients, and entropy-enthalpy compensation in the free energy of mixing. [PDF]

J Chem Phys, 2017
Dudowicz J, Douglas JF, Freed KF.
europepmc   +1 more source

Associative Phase Behavior and Negative Second-Order Virial Coefficients in Analytical Calculations of the Spinodal for Complex Mixtures Composed of Many Components. [PDF]

ACS Omega
Bot A, Brussee R, Venema P.
europepmc   +1 more source

Third virial coefficients for krypton [PDF]

Australian Journal of Chemistry, 1972
JA Barker, CHJ Johnson, TH Spurling
openaire   +1 more source