252 related articles for article (PubMed ID: 23163358)
21. Third density and acoustic virial coefficients of helium isotopologues from ab initio calculations.
Binosi D; Garberoglio G; Harvey AH
J Chem Phys; 2024 Jun; 160(24):. PubMed ID: 38912675
[TBL] [Abstract][Full Text] [Related]
22. Higher-order virial coefficients of water models.
Benjamin KM; Singh JK; Schultz AJ; Kofke DA
J Phys Chem B; 2007 Oct; 111(39):11463-73. PubMed ID: 17850128
[TBL] [Abstract][Full Text] [Related]
23. Fully quantum calculation of the second and third virial coefficients of water and its isotopologues from ab initio potentials.
Garberoglio G; Jankowski P; Szalewicz K; Harvey AH
Faraday Discuss; 2018 Dec; 212(0):467-497. PubMed ID: 30302450
[TBL] [Abstract][Full Text] [Related]
24. Ab Initio Interatomic Potentials and the Classical Molecular Simulation Prediction of the Thermophysical Properties of Helium.
Deiters UK; Sadus RJ
J Phys Chem B; 2020 Mar; 124(11):2268-2276. PubMed ID: 32081009
[TBL] [Abstract][Full Text] [Related]
25. Communication: Predicting virial coefficients and alchemical transformations by extrapolating Mayer-sampling Monte Carlo simulations.
Hatch HW; Jiao S; Mahynski NA; Blanco MA; Shen VK
J Chem Phys; 2017 Dec; 147(23):231102. PubMed ID: 29272929
[TBL] [Abstract][Full Text] [Related]
26. Accurate vibrational-rotational partition functions and standard-state free energy values for H2O2 from Monte Carlo path-integral calculations.
Lynch VA; Mielke SL; Truhlar DG
J Chem Phys; 2004 Sep; 121(11):5148-62. PubMed ID: 15352807
[TBL] [Abstract][Full Text] [Related]
27. Quantum Monte Carlo study of helium clusters doped with nitrous oxide: quantum solvation and rotational dynamics.
Moroni S; Blinov N; Roy PN
J Chem Phys; 2004 Aug; 121(8):3577-81. PubMed ID: 15303924
[TBL] [Abstract][Full Text] [Related]
28. Connection between the virial equation of state and physical clusters in a low density vapor.
Merikanto J; Zapadinsky E; Lauri A; Napari I; Vehkamäki H
J Chem Phys; 2007 Sep; 127(10):104303. PubMed ID: 17867743
[TBL] [Abstract][Full Text] [Related]
29. Critical comparison of classical and quantum mechanical treatments of the phase equilibria of water.
Wick CD; Schenter GK
J Chem Phys; 2006 Mar; 124(11):114505. PubMed ID: 16555899
[TBL] [Abstract][Full Text] [Related]
30. Path integral ground state with a fourth-order propagator: application to condensed helium.
Cuervo JE; Roy PN; Boninsegni M
J Chem Phys; 2005 Mar; 122(11):114504. PubMed ID: 15836226
[TBL] [Abstract][Full Text] [Related]
31. Virial coefficients and equation of state of the penetrable sphere model.
Viererblová L; Kolafa J; Labík S; Malijevský A
Phys Chem Chem Phys; 2010 Jan; 12(1):254-62. PubMed ID: 20024467
[TBL] [Abstract][Full Text] [Related]
32. Can an ab initio three-body virial equation describe the mercury gas phase?
Wiebke J; Wormit M; Hellmann R; Pahl E; Schwerdtfeger P
J Phys Chem B; 2014 Mar; 118(12):3392-400. PubMed ID: 24547987
[TBL] [Abstract][Full Text] [Related]
33. Path-integral calculation of the third dielectric virial coefficient of noble gases.
Garberoglio G; Harvey AH; Jeziorski B
J Chem Phys; 2021 Dec; 155(23):234103. PubMed ID: 34937356
[TBL] [Abstract][Full Text] [Related]
34. Virial coefficients of Lennard-Jones mixtures.
Schultz AJ; Kofke DA
J Chem Phys; 2009 Jun; 130(22):224104. PubMed ID: 19530759
[TBL] [Abstract][Full Text] [Related]
35. Quantum-instanton evaluation of the kinetic isotope effects.
Vanícek J; Miller WH; Castillo JF; Aoiz FJ
J Chem Phys; 2005 Aug; 123(5):054108. PubMed ID: 16108632
[TBL] [Abstract][Full Text] [Related]
36. Path-integral virial estimator based on the scaling of fluctuation coordinates: application to quantum clusters with fourth-order propagators.
Yamamoto TM
J Chem Phys; 2005 Sep; 123(10):104101. PubMed ID: 16178583
[TBL] [Abstract][Full Text] [Related]
37. Quantum momentum distribution and kinetic energy in solid 4He.
Diallo SO; Pearce JV; Azuah RT; Glyde HR
Phys Rev Lett; 2004 Aug; 93(7):075301. PubMed ID: 15324245
[TBL] [Abstract][Full Text] [Related]
38. Path integral evaluation of H diffusion on Ni(100) surface based on the quantum instanton approximation.
Wang W; Zhao Y
J Chem Phys; 2009 Mar; 130(11):114708. PubMed ID: 19317556
[TBL] [Abstract][Full Text] [Related]
39. Contribution of quantum molecular flexibility to the second virial coefficient of water vapor.
Donchev AG; Galkin NG; Tarasov VI
Phys Rev Lett; 2006 Dec; 97(22):220401. PubMed ID: 17155780
[TBL] [Abstract][Full Text] [Related]
40. Proceedings of the Second Workshop on Theory meets Industry (Erwin-Schrödinger-Institute (ESI), Vienna, Austria, 12-14 June 2007).
Hafner J
J Phys Condens Matter; 2008 Feb; 20(6):060301. PubMed ID: 21693862
[TBL] [Abstract][Full Text] [Related]
[Previous] [Next] [New Search]