1412 related articles for article (PubMed ID: 19243164)
1. Ionic hydrogen-bond networks and ion solvation. 1. An efficient Monte Carlo/quantum mechanical method for structural search and energy computations: ammonium/water.
Zhao YL; Meot-Ner Mautner M; Gonzalez C
J Phys Chem A; 2009 Mar; 113(12):2967-74. PubMed ID: 19243164
[TBL] [Abstract][Full Text] [Related]
2. Application of the SCC-DFTB method to H+(H2O)6, H+(H2O)21, and H+(H2O)22.
Choi TH; Jordan KD
J Phys Chem B; 2010 May; 114(20):6932-6. PubMed ID: 20433189
[TBL] [Abstract][Full Text] [Related]
3. The treatment of solvation by a generalized Born model and a self-consistent charge-density functional theory-based tight-binding method.
Xie L; Liu H
J Comput Chem; 2002 Nov; 23(15):1404-15. PubMed ID: 12370943
[TBL] [Abstract][Full Text] [Related]
4. Structure of large nitrate-water clusters at ambient temperatures: simulations with effective fragment potentials and force fields with implications for atmospheric chemistry.
Miller Y; Thomas JL; Kemp DD; Finlayson-Pitts BJ; Gordon MS; Tobias DJ; Gerber RB
J Phys Chem A; 2009 Nov; 113(46):12805-14. PubMed ID: 19817362
[TBL] [Abstract][Full Text] [Related]
5. The self-consistent charge density functional tight binding method applied to liquid water and the hydrated excess proton: benchmark simulations.
Maupin CM; Aradi B; Voth GA
J Phys Chem B; 2010 May; 114(20):6922-31. PubMed ID: 20426461
[TBL] [Abstract][Full Text] [Related]
6. (HCl)2 and (HF)2 in small helium clusters: quantum solvation of hydrogen-bonded dimers.
Jiang H; Sarsa A; Murdachaew G; Szalewicz K; Bacić Z
J Chem Phys; 2005 Dec; 123(22):224313. PubMed ID: 16375482
[TBL] [Abstract][Full Text] [Related]
7. Treatment of dilute clusters of methanol and water by ab initio quantum mechanical calculations.
Ruckenstein E; Shulgin IL; Tilson JL
J Phys Chem A; 2005 Feb; 109(5):807-15. PubMed ID: 16838951
[TBL] [Abstract][Full Text] [Related]
8. Ammonia-water cation and ammonia dimer cation.
Kim H; Lee HM
J Phys Chem A; 2009 Jun; 113(25):6859-64. PubMed ID: 19534557
[TBL] [Abstract][Full Text] [Related]
9. Structure, stability, and infrared spectroscopy of (H2O)nNH4(+) clusters: a theoretical study at zero and finite temperature.
Douady J; Calvo F; Spiegelman F
J Chem Phys; 2008 Oct; 129(15):154305. PubMed ID: 19045191
[TBL] [Abstract][Full Text] [Related]
10. Microsolvation of the sodium and iodide ions and their ion pair in acetonitrile clusters: a theoretical study.
Nguyen TN; Hughes SR; Peslherbe GH
J Phys Chem B; 2008 Jan; 112(2):621-35. PubMed ID: 18183958
[TBL] [Abstract][Full Text] [Related]
11. Experimental and theoretical study of the microsolvation of sodium atoms in methanol clusters: differences and similarities to sodium-water and sodium-ammonia.
Dauster I; Suhm MA; Buck U; Zeuch T
Phys Chem Chem Phys; 2008 Jan; 10(1):83-95. PubMed ID: 18075686
[TBL] [Abstract][Full Text] [Related]
12. Efficient ab initio path integral hybrid Monte Carlo based on the fourth-order Trotter expansion: Application to fluoride ion-water cluster.
Suzuki K; Tachikawa M; Shiga M
J Chem Phys; 2010 Apr; 132(14):144108. PubMed ID: 20405986
[TBL] [Abstract][Full Text] [Related]
13. Water-benzene interactions: an effective fragment potential and correlated quantum chemistry study.
Slipchenko LV; Gordon MS
J Phys Chem A; 2009 Mar; 113(10):2092-102. PubMed ID: 19072625
[TBL] [Abstract][Full Text] [Related]
14. Micro-solvation of the Zn2+ ion-a case study.
De S; Ali SM; Ali A; Gaikar VG
Phys Chem Chem Phys; 2009 Oct; 11(37):8285-94. PubMed ID: 19756285
[TBL] [Abstract][Full Text] [Related]
15. Monte Carlo simulations of the solution structure of simple alcohols in water-acetonitrile mixtures.
Nagy PI; Erhardt PW
J Phys Chem B; 2005 Mar; 109(12):5855-72. PubMed ID: 16851638
[TBL] [Abstract][Full Text] [Related]
16. Computational methods in coupled electron-ion Monte Carlo simulations.
Pierleoni C; Ceperley DM
Chemphyschem; 2005 Sep; 6(9):1872-8. PubMed ID: 16088971
[TBL] [Abstract][Full Text] [Related]
17. Structure and energetics of nanometer size clusters of sulfuric acid with ammonia and dimethylamine.
DePalma JW; Bzdek BR; Doren DJ; Johnston MV
J Phys Chem A; 2012 Jan; 116(3):1030-40. PubMed ID: 22185572
[TBL] [Abstract][Full Text] [Related]
18. Studies on the structure, stability, and spectral signatures of hydride ion-water clusters.
Prakash M; Gopalsamy K; Subramanian V
J Chem Phys; 2011 Dec; 135(21):214308. PubMed ID: 22149793
[TBL] [Abstract][Full Text] [Related]
19. Quantum-chemical calculations of a long proton wire. Application of a harmonic model to analysis of the structure of an ionic defect in a water chain with an excess proton.
Isaev AN
J Phys Chem A; 2010 Feb; 114(5):2201-12. PubMed ID: 20085360
[TBL] [Abstract][Full Text] [Related]
20. Quantum Monte Carlo simulations of selected ammonia clusters (n = 2-5): isotope effects on the ground state of typical hydrogen bonded systems.
Curotto E; Mella M
J Chem Phys; 2010 Dec; 133(21):214301. PubMed ID: 21142298
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]