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Journal Abstract Search

2920 related items for PubMed ID: 19045191

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  • 3. Structure, stability, thermodynamic properties, and IR spectra of the protonated water decamer H+(H2O)10.
    Karthikeyan S, Kim KS.
    J Phys Chem A; 2009 Aug 13; 113(32):9237-42. PubMed ID: 19618910
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  • 6. Distinctive IR signature of CO(3)(*-) and CO(3)(2-) hydrated clusters: a theoretical study.
    Pathak AK, Maity DK.
    J Phys Chem A; 2009 Dec 03; 113(48):13443-7. PubMed ID: 19886648
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  • 7. 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 19; 113(46):12805-14. PubMed ID: 19817362
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  • 8. Structures, stability, vibration entropy and IR spectra of hydrated calcium ion clusters [Ca(H(2)O)(n)](2+) (n = 1-20, 27): a systematic investigation by density functional theory.
    Lei XL, Pan BC.
    J Phys Chem A; 2010 Jul 22; 114(28):7595-603. PubMed ID: 20586468
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  • 9. Topology-energy relationships and lowest energy configurations for pentagonal dodecahedral (H2O)20X clusters, X = empty, H2O, NH3, H3O+: the importance of O-topology.
    Anick DJ.
    J Chem Phys; 2010 Apr 28; 132(16):164311. PubMed ID: 20441279
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  • 10. Low-lying structures and stabilities of large water clusters: investigation based on the combination of the AMOEBA potential and generalized energy-based fragmentation approach.
    Yang Z, Hua S, Hua W, Li S.
    J Phys Chem A; 2010 Sep 02; 114(34):9253-61. PubMed ID: 20669931
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  • 11. Theoretical studies on photoelectron and IR spectral properties of Br2.-(H2O)n clusters.
    Pathak AK, Mukherjee T, Maity DK.
    J Chem Phys; 2007 Jul 28; 127(4):044304. PubMed ID: 17672687
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  • 12. The Kohn-Sham density of states and band gap of water: from small clusters to liquid water.
    Cabral do Couto P, Estácio SG, Costa Cabral BJ.
    J Chem Phys; 2005 Aug 01; 123(5):054510. PubMed ID: 16108672
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  • 14. Microhydration shell structure in Cl2*-.nH2O clusters: A theoretical study.
    Pathak AK, Mukherjee T, Maity DK.
    J Chem Phys; 2006 Aug 21; 125(7):074309. PubMed ID: 16942341
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  • 15. Protonated clathrate cages enclosing neutral water molecules: (H+)(H2O)21 and (H+)(H2O)28.
    Wu CC, Lin CK, Chang HC, Jiang JC, Kuo JL, Klein ML.
    J Chem Phys; 2005 Feb 15; 122(7):074315. PubMed ID: 15743240
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  • 17. Full dimensional (15-dimensional) quantum-dynamical simulation of the protonated water-dimer III: Mixed Jacobi-valence parametrization and benchmark results for the zero point energy, vibrationally excited states, and infrared spectrum.
    Vendrell O, Brill M, Gatti F, Lauvergnat D, Meyer HD.
    J Chem Phys; 2009 Jun 21; 130(23):234305. PubMed ID: 19548725
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  • 18. Mid-infrared characterization of the NH4 +(H2O)n clusters in the neighborhood of the n=20 "magic" number.
    Diken EG, Hammer NI, Johnson MA, Christie RA, Jordan KD.
    J Chem Phys; 2005 Oct 22; 123(16):164309. PubMed ID: 16268699
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  • 19. Global minimum-energy structure and spectroscopic properties of I2(*-) x n H2O clusters: a Monte Carlo simulated annealing study.
    Pathak AK, Mukherjee T, Maity DK.
    Chemphyschem; 2010 Jan 18; 11(1):220-8. PubMed ID: 19943270
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  • 20. 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. PubMed ID: 18578481
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