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Journal Abstract Search

309 related items for PubMed ID: 19968333

  • 1. Accurate dipole polarizabilities for water clusters n=2-12 at the coupled-cluster level of theory and benchmarking of various density functionals.
    Hammond JR, Govind N, Kowalski K, Autschbach J, Xantheas SS.
    J Chem Phys; 2009 Dec 07; 131(21):214103. PubMed ID: 19968333
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  • 3. Benchmarking quantum chemical methods for the calculation of molecular dipole moments and polarizabilities.
    Hickey AL, Rowley CN.
    J Phys Chem A; 2014 May 22; 118(20):3678-87. PubMed ID: 24796376
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  • 5. Water cluster anions studied by the long-range corrected density functional theory.
    Yagi K, Okano Y, Sato T, Kawashima Y, Tsuneda T, Hirao K.
    J Phys Chem A; 2008 Oct 09; 112(40):9845-53. PubMed ID: 18778041
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  • 9. Theoretical investigation of the (hyper)polarizabilities of pyrrole homologues C4H4XH (X = N, P, As, Sb, Bi). A coupled-cluster and density functional theory study.
    Alparone A, Reis H, Papadopoulos MG.
    J Phys Chem A; 2006 May 04; 110(17):5909-18. PubMed ID: 16640389
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  • 11. Coupled-cluster theory based upon the fragment molecular-orbital method.
    Fedorov DG, Kitaura K.
    J Chem Phys; 2005 Oct 01; 123(13):134103. PubMed ID: 16223271
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  • 16. Highly accurate CCSD(R12) and CCSD(F12) optical response properties using standard triple-zeta basis sets.
    Yang J, Hättig C.
    J Chem Phys; 2009 Aug 21; 131(7):074102. PubMed ID: 19708727
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  • 17. Size- and shape-dependent polarizabilities of sandwich and rice-ball Co(n)Bz(m) clusters from density functional theory.
    Wang J, Zhu L, Zhang X, Yang M.
    J Phys Chem A; 2008 Sep 11; 112(36):8226-30. PubMed ID: 18700735
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  • 18. Electric dipole (hyper)polarizabilities of selected X2Y2 and X3Y3 (X = Al, Ga, In and Y = P, As): III-V semiconductor clusters. An ab initio comparative study.
    Karamanis P, Pouchan C, Leszczynski J.
    J Phys Chem A; 2008 Dec 25; 112(51):13662-71. PubMed ID: 19093824
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