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Items: 1 to 20 of 275

2.

Zero point energy of polyhedral water clusters.

Anick DJ.

J Phys Chem A. 2005 Jun 30;109(25):5596-601.

PMID:
16833891
3.

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 21;129(15):154305. doi: 10.1063/1.2987304.

PMID:
19045191
4.
5.

Structures, energetics, vibrational spectra of NH4+ (H2O)(n=4,6) clusters: Ab initio calculations and first principles molecular dynamics simulations.

Karthikeyan S, Singh JN, Park M, Kumar R, Kim KS.

J Chem Phys. 2008 Jun 28;128(24):244304. doi: 10.1063/1.2943671.

PMID:
18601329
6.

O-H stretch modes of dodecahedral water clusters: a statistical ab initio study.

Anick DJ.

J Phys Chem A. 2006 Apr 20;110(15):5135-43.

PMID:
16610836
7.

Undissociated versus dissociated structures for water clusters and ammonia-water clusters: (H2O)n and NH3(H2O)n-1 (n = 5, 8, 9, 21). Theoretical study.

Karthikeyan S, Singh NJ, Kim KS.

J Phys Chem A. 2008 Jul 24;112(29):6527-32. doi: 10.1021/jp801678r. Epub 2008 Jun 26.

PMID:
18578481
8.
9.

Lowest-energy structures of water clusters (H2O)11 and (H2O)13.

Bulusu S, Yoo S, Aprà E, Xantheas S, Zeng XC.

J Phys Chem A. 2006 Oct 26;110(42):11781-4.

PMID:
17048809
10.

Stability and structure of protonated clusters of ammonia and water, H+(NH3)m (H2O)n.

Hvelplund P, Kurtén T, Støchkel K, Ryding MJ, Nielsen SB, Uggerud E.

J Phys Chem A. 2010 Jul 15;114(27):7301-10. doi: 10.1021/jp104162k.

PMID:
20568791
11.

Ammonia-water cation and ammonia dimer cation.

Kim H, Lee HM.

J Phys Chem A. 2009 Jun 25;113(25):6859-64. doi: 10.1021/jp903093a.

PMID:
19534557
14.

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 10;109(5):807-15.

PMID:
16838951
16.

Proton and deuteron position preferences in water clusters: an ab initio study.

Anick DJ.

J Chem Phys. 2005 Dec 22;123(24):244309.

PMID:
16396539
17.

Theoretical study of binding interactions and vibrational Raman spectra of water in hydrogen-bonded anionic complexes: (H2O)n- (n = 2 and 3), H2O...X- (X = F, Cl, Br, and I), and H2O...M- (M = Cu, Ag, and Au).

Wu DY, Duan S, Liu XM, Xu YC, Jiang YX, Ren B, Xu X, Lin SH, Tian ZQ.

J Phys Chem A. 2008 Feb 14;112(6):1313-21. doi: 10.1021/jp0722105. Epub 2008 Jan 24.

PMID:
18215023
18.

Structure of the calix[4]arene-(H2O) cluster: the world's smallest cup of water.

Hontama N, Inokuchi Y, Ebata T, Dedonder-Lardeux C, Jouvet C, Xantheas SS.

J Phys Chem A. 2010 Mar 11;114(9):2967-72. doi: 10.1021/jp902967q.

PMID:
19694445
19.

Theoretical evidence of barrier-free proton transfer in 7-azaindole-water cluster anions.

Chen HY, Young PY, Hsu SC.

J Chem Phys. 2009 Apr 28;130(16):165101. doi: 10.1063/1.3120604.

PMID:
19405633
20.

Electron attachment in ice-HCl clusters: an ab initio study.

Li X, Sanche L, Rauk A, Armstrong D.

J Phys Chem A. 2005 May 26;109(20):4591-600.

PMID:
16833796

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