297 related articles for article (PubMed ID: 22697552)
1. Density dependence of the entropy and the solvation shell structure in supercritical water via molecular dynamics simulation.
Ma H
J Chem Phys; 2012 Jun; 136(21):214501. PubMed ID: 22697552
[TBL] [Abstract][Full Text] [Related]
2. 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]
3. Structural properties of hydration shell around various conformations of simple polypeptides.
Czapiewski D; Zielkiewicz J
J Phys Chem B; 2010 Apr; 114(13):4536-50. PubMed ID: 20232827
[TBL] [Abstract][Full Text] [Related]
4. Two-particle entropy and structural ordering in liquid water.
Zielkiewicz J
J Phys Chem B; 2008 Jul; 112(26):7810-5. PubMed ID: 18533700
[TBL] [Abstract][Full Text] [Related]
5. Comparison of select polarizable and non-polarizable water models in predicting solvation dynamics of water confined between MgO slabs.
Kamath G; Deshmukh SA; Sankaranarayanan SK
J Phys Condens Matter; 2013 Jul; 25(30):305003. PubMed ID: 23819970
[TBL] [Abstract][Full Text] [Related]
6. Solvation shell dynamics studied by molecular dynamics simulation in relation to the translational and rotational dynamics of supercritical water and benzene.
Yoshida K; Matubayasi N; Nakahara M
J Chem Phys; 2007 Nov; 127(17):174509. PubMed ID: 17994829
[TBL] [Abstract][Full Text] [Related]
7. A first principles molecular dynamics study of lithium atom solvation in binary liquid mixture of water and ammonia: structural, electronic, and dynamical properties.
Pratihar S; Chandra A
J Chem Phys; 2011 Jan; 134(2):024519. PubMed ID: 21241132
[TBL] [Abstract][Full Text] [Related]
8. 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]
9. Ultrafast dynamics of hydrogen bond exchange in aqueous ionic solutions.
Park S; Odelius M; Gaffney KJ
J Phys Chem B; 2009 Jun; 113(22):7825-35. PubMed ID: 19435307
[TBL] [Abstract][Full Text] [Related]
10. Structural properties of water: comparison of the SPC, SPCE, TIP4P, and TIP5P models of water.
Zielkiewicz J
J Chem Phys; 2005 Sep; 123(10):104501. PubMed ID: 16178604
[TBL] [Abstract][Full Text] [Related]
11. The hydrogen bond network structure within the hydration shell around simple osmolytes: urea, tetramethylurea, and trimethylamine-N-oxide, investigated using both a fixed charge and a polarizable water model.
Kuffel A; Zielkiewicz J
J Chem Phys; 2010 Jul; 133(3):035102. PubMed ID: 20649360
[TBL] [Abstract][Full Text] [Related]
12. On the use of excess entropy scaling to describe the dynamic properties of water.
Chopra R; Truskett TM; Errington JR
J Phys Chem B; 2010 Aug; 114(32):10558-66. PubMed ID: 20701386
[TBL] [Abstract][Full Text] [Related]
13. Thermodynamic, diffusional, and structural anomalies in rigid-body water models.
Agarwal M; Alam MP; Chakravarty C
J Phys Chem B; 2011 Jun; 115(21):6935-45. PubMed ID: 21553909
[TBL] [Abstract][Full Text] [Related]
14. Solvation theory to provide a molecular interpretation of the hydrophobic entropy loss of noble-gas hydration.
Irudayam SJ; Henchman RH
J Phys Condens Matter; 2010 Jul; 22(28):284108. PubMed ID: 21399280
[TBL] [Abstract][Full Text] [Related]
15. Correlation of structural order, anomalous density, and hydrogen bonding network of liquid water.
Bandyopadhyay D; Mohan S; Ghosh SK; Choudhury N
J Phys Chem B; 2013 Jul; 117(29):8831-43. PubMed ID: 23859122
[TBL] [Abstract][Full Text] [Related]
16. Structure of the first- and second-neighbor shells of simulated water: quantitative relation to translational and orientational order.
Yan Z; Buldyrev SV; Kumar P; Giovambattista N; Debenedetti PG; Stanley HE
Phys Rev E Stat Nonlin Soft Matter Phys; 2007 Nov; 76(5 Pt 1):051201. PubMed ID: 18233643
[TBL] [Abstract][Full Text] [Related]
17. Molecular origin of the hydrophobic effect: analysis using the angle-dependent integral equation theory.
Kinoshita M
J Chem Phys; 2008 Jan; 128(2):024507. PubMed ID: 18205459
[TBL] [Abstract][Full Text] [Related]
18. Order and correlation contributions to the entropy of hydrophobic solvation.
Liu M; Besford QA; Mulvaney T; Gray-Weale A
J Chem Phys; 2015 Mar; 142(11):114117. PubMed ID: 25796241
[TBL] [Abstract][Full Text] [Related]
19. Two-phase thermodynamic model for efficient and accurate absolute entropy of water from molecular dynamics simulations.
Lin ST; Maiti PK; Goddard WA
J Phys Chem B; 2010 Jun; 114(24):8191-8. PubMed ID: 20504009
[TBL] [Abstract][Full Text] [Related]
20. Spatial decomposition of solvation free energy based on the 3D integral equation theory of molecular liquid: application to miniproteins.
Yamazaki T; Kovalenko A
J Phys Chem B; 2011 Jan; 115(2):310-8. PubMed ID: 21166382
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
