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289 related items for PubMed ID: 27305993
1. A reference-modified density functional theory: An application to solvation free-energy calculations for a Lennard-Jones solution. Sumi T, Maruyama Y, Mitsutake A, Koga K. J Chem Phys; 2016 Jun 14; 144(22):224104. PubMed ID: 27305993 [Abstract] [Full Text] [Related]
2. Extending the simple weighted density approximation for a hard-sphere fluid to a Lennard-Jones fluid II. Application. Zhou S. J Colloid Interface Sci; 2005 Oct 15; 290(2):364-72. PubMed ID: 15935364 [Abstract] [Full Text] [Related]
3. A solvation-free-energy functional: a reference-modified density functional formulation. Sumi T, Mitsutake A, Maruyama Y. J Comput Chem; 2015 Jul 05; 36(18):1359-69. PubMed ID: 26032201 [Abstract] [Full Text] [Related]
4. Cavity Particle in Aqueous Solution with a Hydrophobic Solute: Structure, Energetics, and Functionals. Zhang BW, Matubayasi N, Levy RM. J Phys Chem B; 2020 Jun 25; 124(25):5220-5237. PubMed ID: 32469519 [Abstract] [Full Text] [Related]
5. Generalized coupling parameter expansion: application to square well and Lennard-Jones fluids. Sai Venkata Ramana A. J Chem Phys; 2013 Jul 28; 139(4):044106. PubMed ID: 23901959 [Abstract] [Full Text] [Related]
7. Solvation free-energy pressure corrections in the three dimensional reference interaction site model. Sergiievskyi V, Jeanmairet G, Levesque M, Borgis D. J Chem Phys; 2015 Nov 14; 143(18):184116. PubMed ID: 26567655 [Abstract] [Full Text] [Related]
9. A new scheme for perturbation contribution in density functional theory and application to solvation force and critical fluctuations. Zhou S. J Chem Phys; 2009 Oct 07; 131(13):134702. PubMed ID: 19814565 [Abstract] [Full Text] [Related]
10. Fourier space approach to the classical density functional theory for multi-Yukawa and square-well fluids. Hlushak SP, McCabe C, Cummings PT. J Chem Phys; 2012 Sep 14; 137(10):104104. PubMed ID: 22979847 [Abstract] [Full Text] [Related]
13. Local solvent density augmentation around a solute in supercritical solvent bath: 1. A mechanism explanation and a new phenomenon. Zhou S. J Phys Chem B; 2005 Apr 21; 109(15):7522-8. PubMed ID: 16851863 [Abstract] [Full Text] [Related]
14. Application of reference-modified density functional theory: Temperature and pressure dependences of solvation free energy. Sumi T, Maruyama Y, Mitsutake A, Mochizuki K, Koga K. J Comput Chem; 2018 Feb 05; 39(4):202-217. PubMed ID: 29116647 [Abstract] [Full Text] [Related]
16. Combined temperature and density series for fluid-phase properties. II. Lennard-Jones spheres. Elliott JR, Schultz AJ, Kofke DA. J Chem Phys; 2019 Nov 28; 151(20):204501. PubMed ID: 31779334 [Abstract] [Full Text] [Related]
17. Density functional theory of solvation in a polar solvent: extracting the functional from homogeneous solvent simulations. Ramirez R, Gebauer R, Mareschal M, Borgis D. Phys Rev E Stat Nonlin Soft Matter Phys; 2002 Sep 28; 66(3 Pt 1):031206. PubMed ID: 12366105 [Abstract] [Full Text] [Related]
18. Prediction of phase behavior of nanoconfined Lennard-Jones fluids with density functional theory based on the first-order mean spherical approximation. Mi J, Tang Y, Zhong C, Li YG. J Chem Phys; 2006 Apr 14; 124(14):144709. PubMed ID: 16626233 [Abstract] [Full Text] [Related]
20. Density-functional theory and Monte Carlo simulation for the surface structure and correlation functions of freely jointed Lennard-Jones polymeric fluids. Li Z, Cao D, Wu J. J Chem Phys; 2005 May 01; 122(17):174708. PubMed ID: 15910061 [Abstract] [Full Text] [Related] Page: [Next] [New Search]