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Journal Abstract Search

323 related items for PubMed ID: 16223271

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  • 3. Accurate ab initio binding energies of alkaline earth metal clusters.
    Lee JS.
    J Phys Chem A; 2005 Dec 29; 109(51):11927-32. PubMed ID: 16366644
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  • 6. A comparative assessment of the perturbative and renormalized coupled cluster theories with a noniterative treatment of triple excitations for thermochemical kinetics, including a study of basis set and core correlation effects.
    Zheng J, Gour JR, Lutz JJ, Włoch M, Piecuch P, Truhlar DG.
    J Chem Phys; 2008 Jan 28; 128(4):044108. PubMed ID: 18247931
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  • 7. Variational formulation of perturbative explicitly-correlated coupled-cluster methods.
    Torheyden M, Valeev EF.
    Phys Chem Chem Phys; 2008 Jun 21; 10(23):3410-20. PubMed ID: 18535724
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  • 8. Theoretical study of the gas-phase reactions of iodine atoms ((2)P(3/2)) with H(2), H(2)O, HI, and OH.
    Canneaux S, Xerri B, Louis F, Cantrel L.
    J Phys Chem A; 2010 Sep 02; 114(34):9270-88. PubMed ID: 20672845
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  • 9. Correlation consistent basis sets for molecular core-valence effects with explicitly correlated wave functions: the atoms B-Ne and Al-Ar.
    Hill JG, Mazumder S, Peterson KA.
    J Chem Phys; 2010 Feb 07; 132(5):054108. PubMed ID: 20136306
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  • 10. Extrapolating potential energy surfaces by scaling electron correlation: isomerization of bicyclobutane to butadiene.
    Lutz JJ, Piecuch P.
    J Chem Phys; 2008 Apr 21; 128(15):154116. PubMed ID: 18433199
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  • 11. Multilayer formulation of the fragment molecular orbital method (FMO).
    Fedorov DG, Ishida T, Kitaura K.
    J Phys Chem A; 2005 Mar 24; 109(11):2638-46. PubMed ID: 16833570
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  • 12. Estimated MP2 and CCSD(T) interaction energies of n-alkane dimers at the basis set limit: comparison of the methods of Helgaker et al. and Feller.
    Tsuzuki S, Honda K, Uchimaru T, Mikami M.
    J Chem Phys; 2006 Mar 21; 124(11):114304. PubMed ID: 16555885
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  • 13. 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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  • 14. The polarizable continuum model (PCM) interfaced with the fragment molecular orbital method (FMO).
    Fedorov DG, Kitaura K, Li H, Jensen JH, Gordon MS.
    J Comput Chem; 2006 Jun 07; 27(8):976-85. PubMed ID: 16604514
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  • 15. Extrapolating to the one-electron basis-set limit in electronic structure calculations.
    Varandas AJ.
    J Chem Phys; 2007 Jun 28; 126(24):244105. PubMed ID: 17614535
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  • 16. XH-stretching overtone transitions calculated using explicitly correlated coupled cluster methods.
    Lane JR, Kjaergaard HG.
    J Chem Phys; 2010 May 07; 132(17):174304. PubMed ID: 20459166
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  • 17. Ab initio and density functional theory reinvestigation of gas-phase sulfuric acid monohydrate and ammonium hydrogen sulfate.
    Kurtén T, Sundberg MR, Vehkamäki H, Noppel M, Blomqvist J, Kulmala M.
    J Phys Chem A; 2006 Jun 08; 110(22):7178-88. PubMed ID: 16737269
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  • 18. Extrapolation of electron correlation energies to finite and complete basis set targets.
    Bakowies D.
    J Chem Phys; 2007 Aug 28; 127(8):084105. PubMed ID: 17764227
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  • 19. Intermolecular potentials of the silane dimer calculated with Hartree-Fock theory, Møller-Plesset perturbation theory, and density functional theory.
    Pai CC, Li AH, Chao SD.
    J Phys Chem A; 2007 Nov 22; 111(46):11922-9. PubMed ID: 17963367
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  • 20. Highly accurate CCSD(T) and DFT-SAPT stabilization energies of H-bonded and stacked structures of the uracil dimer.
    Pitonák M, Riley KE, Neogrády P, Hobza P.
    Chemphyschem; 2008 Aug 04; 9(11):1636-44. PubMed ID: 18574830
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