ExLibris header image
SFX Logo
Title: Density, structure, and dynamics of water: The effect of van der Waals interactions
Source:

Journal of Chemical Physics [0021-9606] Wang, Jue yr:2011


Collapse list of basic services Basic
Full text
Full text available via AIP Journals (American Institute of Physics)
GO
Document delivery
Request document via Library/Bibliothek GO
Users interested in this article also expressed an interest in the following:
1. Lee, K. "Higher-accuracy van der Waals density functional." Physical review. B, Condensed matter and materials physics 82.8 (2010): 81101-81101. Link to Full Text for this item Link to SFX for this item
2. Abel, R. "Thermodynamic Properties of Liquid Water: An Application of a Nonparametric Approach to Computing the Entropy of a Neat Fluid." Journal of chemical theory and computation 5.6 (2009): 1462-1473. Link to Full Text for this item Link to SFX for this item
3. A. K. Soper, A. "Quantum Differences between Heavy and Light Water." Physical review letters 101.6 (2008): 65502-65502. Link to Full Text for this item Link to SFX for this item
4. Sprik, M. "Ab initio molecular dynamics simulation of liquid water: Comparison three gradient-corrected density functionals." The Journal of chemical physics 105.3 (1996): 1142-1152. Link to Full Text for this item Link to SFX for this item
5. Sit, P L. "Static and dynamical properties of heavy water at ambient conditions from first-principles molecular dynamics." The Journal of chemical physics 122.20 (2005): 204510-204510. Link to Full Text for this item Link to SFX for this item
6. Michaelides, A. "Van der Waals density functionals applied to solids." Physical review. B, Condensed matter and materials physics 83.19 (2011): 195131-. Link to Full Text for this item Link to SFX for this item
7. Langreth, D. "Comment on "Nonlocal Van Der Waals Density Functional Made Simple''." Physical review letters 104.9 (2010): 99303-. Link to Full Text for this item Link to SFX for this item
8. Tay, K. "Kinetics of hydrogen-bond rearrangements in bulk water." Physical chemistry chemical physics 11.2 (2009): 409-415. Link to Full Text for this item Link to SFX for this item
9. Soper, A.K. K. "The radial distribution functions of water and ice from 220 to 673 K and at pressures up to 400 MPa." Chemical Physics 258.2-3 (2000): 121-137. Link to Full Text for this item Link to SFX for this item
10. Bergmann, U. "Isotope effects in liquid water probed by x-ray Raman spectroscopy." Physical review. B, Condensed matter and materials physics 76.2 (2007): 24202-6. Link to Full Text for this item Link to SFX for this item
11. Mizoguchi, K. "Study on dynamical structure in water and heavy water by low-frequency Raman spectroscopy." The Journal of chemical physics 97.3 (1992): 1961-1968. Link to Full Text for this item Link to SFX for this item
12. Matsuda, H. "Physical nature of higher-order mutual information: Intrinsic correlations and frustration." Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics 62.3 (2000): 3096-3102. Link to Full Text for this item Link to SFX for this item
13. Harris, K. "Temperature and volume dependence of the viscosity of water and heavy water at low temperatures." Journal of chemical and engineering data 49.4 (2004): 1064-1069. Link to Full Text for this item Link to SFX for this item
14. Ilan, B. "Solvent Effects on the Self-Assembly of 1-Bromoeicosane on Graphite. Part II. Theory." Journal of physical chemistry. C 113.9 (2009): 3641-3649. Link to Full Text for this item Link to SFX for this item
15. Hnizdo, V. "Statistical thermodynamics of internal rotation in a hindering potential of mean force obtained from computer simulations." Journal of computational chemistry 24.10 (2003): 1172-1183. Link to Full Text for this item Link to SFX for this item
16. SanchezPortal, D. "Density-functional method for very large systems with LCAO basis sets." International journal of quantum chemistry 65.5 (1997): 453-461. Link to Full Text for this item Link to SFX for this item
17. Thonhauser, T. "Van der Waals density functional: Self-consistent potential and the nature of the van der Waals bond." Physical review. B, Condensed matter and materials physics 76.12 (2007): 125112-11. Link to Full Text for this item Link to SFX for this item
18. Goo, Mario H. "Molecular dynamics simulation studies of the limiting conductances of MgCl2 and CaCl2 in supercritical water using SPC/E model for water." Molecular simulation 30.1 (2004): 37-44. Link to SFX for this item
19. Schwegler, E. "Towards an assessment of the accuracy of density functional theory for first principles simulations of water. II." The Journal of chemical physics 121.11 (2004): 5400-5409. Link to Full Text for this item Link to SFX for this item
20. Amira, S. "Car-Parrinello molecular dynamics simulation of Fe3+(aq)." The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical 109.29 (2005): 14235-14242. Link to Full Text for this item Link to SFX for this item
View More...
View Less...
Select All Clear All

Expand list of advanced services Advanced