193 related articles for article (PubMed ID: 14499902)
1. Hydration of krypton and consideration of clathrate models of hydrophobic effects from the perspective of quasi-chemical theory.
Ashbaugh HS; Asthagiri D; Pratt LR; Rempe SB
Biophys Chem; 2003 Sep; 105(2-3):323-38. PubMed ID: 14499902
[TBL] [Abstract][Full Text] [Related]
2. Hydrated Anions: From Clusters to Bulk Solution with Quasi-Chemical Theory.
Gomez DT; Pratt LR; Asthagiri DN; Rempe SB
Acc Chem Res; 2022 Aug; 55(16):2201-2212. PubMed ID: 35829622
[TBL] [Abstract][Full Text] [Related]
3. Water coordination structures and the excess free energy of the liquid.
Merchant S; Shah JK; Asthagiri D
J Chem Phys; 2011 Mar; 134(12):124514. PubMed ID: 21456683
[TBL] [Abstract][Full Text] [Related]
4. 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]
5. Dynamic hydration shell restores Kauzmann's 1959 explanation of how the hydrophobic factor drives protein folding.
Baldwin RL
Proc Natl Acad Sci U S A; 2014 Sep; 111(36):13052-6. PubMed ID: 25157156
[TBL] [Abstract][Full Text] [Related]
6. Solvation of fluoroform and fluoroform-dimethylether dimer in liquid krypton: a theoretical cryospectroscopic study.
Kohls E; Mishev A; Pejov L
J Chem Phys; 2013 Aug; 139(5):054504. PubMed ID: 23927267
[TBL] [Abstract][Full Text] [Related]
7. Anharmonic motions of Kr in the clathrate hydrate.
Tse JS; Klug DD; Zhao JY; Sturhahn W; Alp EE; Baumert J; Gutt C; Johnson MR; Press W
Nat Mater; 2005 Dec; 4(12):917-21. PubMed ID: 16267573
[TBL] [Abstract][Full Text] [Related]
8. Hydration shell structure and dynamics of curium(III) in aqueous solution: first principles and empirical studies.
Atta-Fynn R; Bylaska EJ; Schenter GK; de Jong WA
J Phys Chem A; 2011 May; 115(18):4665-77. PubMed ID: 21500828
[TBL] [Abstract][Full Text] [Related]
9. Surface topography dependence of biomolecular hydrophobic hydration.
Cheng YK; Rossky PJ
Nature; 1998 Apr; 392(6677):696-9. PubMed ID: 9565030
[TBL] [Abstract][Full Text] [Related]
10. Effect of hydration on the organo-noble gas molecule HKrCCH: role of krypton in the stabilization of hydrated HKrCCH complexes.
Biswas B; Singh PC
Phys Chem Chem Phys; 2015 Nov; 17(45):30632-41. PubMed ID: 26523809
[TBL] [Abstract][Full Text] [Related]
11. Hydration water and bulk water in proteins have distinct properties in radial distributions calculated from 105 atomic resolution crystal structures.
Chen X; Weber I; Harrison RW
J Phys Chem B; 2008 Sep; 112(38):12073-80. PubMed ID: 18754631
[TBL] [Abstract][Full Text] [Related]
12. Structure and dynamics of the CrIII ion in aqueous solution: Ab initio QM/MM molecular dynamics simulation.
Kritayakornupong C; Plankensteiner K; Rode BM
J Comput Chem; 2004 Oct; 25(13):1576-83. PubMed ID: 15264252
[TBL] [Abstract][Full Text] [Related]
13. Hydration of guanidinium: second shell formation at small cluster size.
Cooper RJ; Heiles S; DiTucci MJ; Williams ER
J Phys Chem A; 2014 Jul; 118(30):5657-66. PubMed ID: 24999751
[TBL] [Abstract][Full Text] [Related]
14. Absolute ion hydration free energy scale and the surface potential of water via quantum simulation.
Shi Y; Beck TL
Proc Natl Acad Sci U S A; 2020 Dec; 117(48):30151-30158. PubMed ID: 33203676
[TBL] [Abstract][Full Text] [Related]
15. Atomic-scale analysis of the solvation thermodynamics of hydrophobic hydration.
Durell SR; Wallqvist A
Biophys J; 1996 Oct; 71(4):1695-706. PubMed ID: 8889147
[TBL] [Abstract][Full Text] [Related]
16. Hydration of simple amides. FTIR spectra of HDO and theoretical studies.
Panuszko A; Gojło E; Zielkiewicz J; Smiechowski M; Krakowiak J; Stangret J
J Phys Chem B; 2008 Feb; 112(8):2483-93. PubMed ID: 18247601
[TBL] [Abstract][Full Text] [Related]
17. Quasi-chemical theory of cosolvent hydrophobic preferential interactions.
Priya MH; Merchant S; Asthagiri D; Paulaitis ME
J Phys Chem B; 2012 Jun; 116(22):6506-13. PubMed ID: 22574766
[TBL] [Abstract][Full Text] [Related]
18. Influence of polarization and many body quantum effects on the solvation shell of Al(III) in dilute aqueous solution--extended ab initio QM/MM MD simulations.
Hofer TS; Randolf BR; Rode BM
Phys Chem Chem Phys; 2005 Apr; 7(7):1382-7. PubMed ID: 19787958
[TBL] [Abstract][Full Text] [Related]
19. Theoretical study of phase transitions in Kr and Ar clathrate hydrates from structure II to structure I under pressure.
Subbotin OS; Adamova TP; Belosludov RV; Mizuseki H; Kawazoe Y; Kudoh J; Rodger PM; Belosludov VR
J Chem Phys; 2009 Sep; 131(11):114507. PubMed ID: 19778129
[TBL] [Abstract][Full Text] [Related]
20. An analysis of molecular packing and chemical association in liquid water using quasichemical theory.
Paliwal A; Asthagiri D; Pratt LR; Ashbaugh HS; Paulaitis ME
J Chem Phys; 2006 Jun; 124(22):224502. PubMed ID: 16784293
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
