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Journal Abstract Search

192 related items for PubMed ID: 16497022

  • 41. Size evolution study of "molecular" and "atom-in-cluster" polarizabilities of medium-size gold clusters.
    Rodríguez JI, Autschbach J, Castillo-Alvarado FL, Baltazar-Méndez MI.
    J Chem Phys; 2011 Jul 21; 135(3):034109. PubMed ID: 21786989
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  • 42. Structural and electronic properties of Si(n), Si(n)-, and PSi(n-1) clusters (2 < or = n < or = 13): Theoretical investigation based on ab initio molecular orbital theory.
    Nigam S, Majumder C, Kulshreshtha SK.
    J Chem Phys; 2006 Aug 21; 125(7):074303. PubMed ID: 16942335
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  • 43. Experimental and computational study of small (N = 1-16) stoichiometric zinc and cadmium chalcogenide clusters.
    Sanville E, Burnin A, Belbruno JJ.
    J Phys Chem A; 2006 Feb 23; 110(7):2378-86. PubMed ID: 16480297
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  • 46. Basis set limit coupled cluster study of h-bonded systems and assessment of more approximate methods.
    Boese AD, Martin JM, Klopper W.
    J Phys Chem A; 2007 Nov 01; 111(43):11122-33. PubMed ID: 17929777
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  • 51. Water polarizability in condensed phase: ab initio evaluation by cluster approach.
    Morita A.
    J Comput Chem; 2002 Nov 30; 23(15):1466-71. PubMed ID: 12370948
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  • 52. How large is the static electric (hyper)polarizability anisotropy in HXeI?
    Maroulis G.
    J Chem Phys; 2008 Jul 28; 129(4):044314. PubMed ID: 18681653
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  • 53. Fundamental vibrational frequencies and dominant resonances in methylamine isotopologues by ab initio and density functional theory methods.
    Levi C, Martin JM, Bar I.
    J Comput Chem; 2008 Jun 28; 29(8):1268-76. PubMed ID: 18161681
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  • 54. Structure of liquid water at ambient temperature from ab initio molecular dynamics performed in the complete basis set limit.
    Lee HS, Tuckerman ME.
    J Chem Phys; 2006 Oct 21; 125(15):154507. PubMed ID: 17059272
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  • 55. The structure and binding energies of the van der Waals complexes of Ar and N2 with phenol and its cation, studied by high level ab initio and density functional theory calculations.
    Vincent MA, Hillier IH, Morgado CA, Burton NA, Shan X.
    J Chem Phys; 2008 Jan 28; 128(4):044313. PubMed ID: 18247955
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  • 58. Ab initio and density functional computations of the vibrational spectrum, molecular geometry and some molecular properties of the antidepressant drug sertraline (Zoloft) hydrochloride.
    Sagdinc S, Kandemirli F, Bayari SH.
    Spectrochim Acta A Mol Biomol Spectrosc; 2007 Feb 28; 66(2):405-12. PubMed ID: 16843710
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  • 59. Basis set effects on the hyperpolarizability of CHCl3: Gaussian-type orbitals, numerical basis sets and real-space grids.
    Vila FD, Strubbe DA, Takimoto Y, Andrade X, Rubio A, Louie SG, Rehr JJ.
    J Chem Phys; 2010 Jul 21; 133(3):034111. PubMed ID: 20649312
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