149 related articles for article (PubMed ID: 23004769)
1. Structure and polarization properties of water: molecular dynamics with a nonadditive intermolecular potential.
Shvab I; Sadus RJ
Phys Rev E Stat Nonlin Soft Matter Phys; 2012 May; 85(5 Pt 1):051509. PubMed ID: 23004769
[TBL] [Abstract][Full Text] [Related]
2. Role of nonadditive forces on the structure and properties of liquid water.
Li J; Zhou Z; Sadus RJ
J Chem Phys; 2007 Oct; 127(15):154509. PubMed ID: 17949175
[TBL] [Abstract][Full Text] [Related]
3. Molecular dynamics simulation of the dielectric constant of water: the effect of bond flexibility.
Raabe G; Sadus RJ
J Chem Phys; 2011 Jun; 134(23):234501. PubMed ID: 21702561
[TBL] [Abstract][Full Text] [Related]
4. Intermolecular potentials and the accurate prediction of the thermodynamic properties of water.
Shvab I; Sadus RJ
J Chem Phys; 2013 Nov; 139(19):194505. PubMed ID: 24320337
[TBL] [Abstract][Full Text] [Related]
5. Dielectric and structural properties of aqueous nonpolar solute mixtures.
Shvab I; Sadus RJ
J Chem Phys; 2012 Sep; 137(12):124501. PubMed ID: 23020337
[TBL] [Abstract][Full Text] [Related]
6. Changes of structure and dipole moment of water with temperature and pressure: a first principles study.
Kang D; Dai J; Yuan J
J Chem Phys; 2011 Jul; 135(2):024505. PubMed ID: 21766955
[TBL] [Abstract][Full Text] [Related]
7. Dynamical properties of hydrogen sulphide motion in its clathrate hydrate from ab initio and classical isobaric-isothermal molecular dynamics.
English NJ; Tse JS
J Phys Chem A; 2011 Jun; 115(23):6226-32. PubMed ID: 21391544
[TBL] [Abstract][Full Text] [Related]
8. Dielectric constant of ices and water: a lesson about water interactions.
Aragones JL; MacDowell LG; Vega C
J Phys Chem A; 2011 Jun; 115(23):5745-58. PubMed ID: 20866096
[TBL] [Abstract][Full Text] [Related]
9. Clusters of classical water models.
Kiss PT; Baranyai A
J Chem Phys; 2009 Nov; 131(20):204310. PubMed ID: 19947683
[TBL] [Abstract][Full Text] [Related]
10. CHARMM fluctuating charge force field for proteins: II protein/solvent properties from molecular dynamics simulations using a nonadditive electrostatic model.
Patel S; Mackerell AD; Brooks CL
J Comput Chem; 2004 Sep; 25(12):1504-14. PubMed ID: 15224394
[TBL] [Abstract][Full Text] [Related]
11. Dynamical properties of the soft sticky dipole-quadrupole-octupole water model: a molecular dynamics study.
Chowdhuri S; Tan ML; Ichiye T
J Chem Phys; 2006 Oct; 125(14):144513. PubMed ID: 17042615
[TBL] [Abstract][Full Text] [Related]
12. Revisiting the hexane-water interface via molecular dynamics simulations using nonadditive alkane-water potentials.
Patel SA; Brooks CL
J Chem Phys; 2006 May; 124(20):204706. PubMed ID: 16774363
[TBL] [Abstract][Full Text] [Related]
13. Structure and dynamics of the hydration shells of the Zn(2+) ion from ab initio molecular dynamics and combined ab initio and classical molecular dynamics simulations.
Cauët E; Bogatko S; Weare JH; Fulton JL; Schenter GK; Bylaska EJ
J Chem Phys; 2010 May; 132(19):194502. PubMed ID: 20499974
[TBL] [Abstract][Full Text] [Related]
14. How well can polarization models of pairwise nonadditive forces describe liquid water?
Akin-Ojo O; Szalewicz K
J Chem Phys; 2013 Jan; 138(2):024316. PubMed ID: 23320692
[TBL] [Abstract][Full Text] [Related]
15. Investigation of polarization effects in the gramicidin A channel from ab initio molecular dynamics simulations.
Timko J; Kuyucak S
J Chem Phys; 2012 Nov; 137(20):205106. PubMed ID: 23206041
[TBL] [Abstract][Full Text] [Related]
16. Density dependence of hydrogen bonding and the translational-orientational structural order in supercritical water: a molecular dynamics study.
Ma H; Ma J
J Chem Phys; 2011 Aug; 135(5):054504. PubMed ID: 21823709
[TBL] [Abstract][Full Text] [Related]
17. Dynamic properties of hydrogen-bonded networks in supercritical water.
Marti J
Phys Rev E Stat Phys Plasmas Fluids Relat Interdiscip Topics; 2000 Jan; 61(1):449-56. PubMed ID: 11046284
[TBL] [Abstract][Full Text] [Related]
18. Structure, thermodynamics, and liquid-vapor equilibrium of ethanol from molecular-dynamics simulations using nonadditive interactions.
Patel S; Brooks CL
J Chem Phys; 2005 Oct; 123(16):164502. PubMed ID: 16268707
[TBL] [Abstract][Full Text] [Related]
19. Polarizable and flexible model for ethanol.
Wang S; Cann NM
J Chem Phys; 2007 Jun; 126(21):214502. PubMed ID: 17567203
[TBL] [Abstract][Full Text] [Related]
20. Theoretical characterization of temperature and density dependence of liquid water electronic excitation energy: comparison with recent experimental data.
D'Abramo M; Di Nola A; Aschi M; Amadei A
J Chem Phys; 2008 Jan; 128(2):021103. PubMed ID: 18205436
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]