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882 related items for PubMed ID: 19045406

  • 1. Ab initio intermolecular potential energy surfaces of the water-rare gas atom complexes.
    Makarewicz J.
    J Chem Phys; 2008 Nov 14; 129(18):184310. PubMed ID: 19045406
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  • 4. Intermolecular potential energy surface and spectra of He-HCl with generalization to other rare gas-hydrogen halide complexes.
    Murdachaew G, Szalewicz K, Jiang H, Bacić Z.
    J Chem Phys; 2004 Dec 15; 121(23):11839-55. PubMed ID: 15634146
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  • 5. Ab initio calculations of stationary points on the benzene-Ar and p-difluorobenzene-Ar potential energy surfaces: barriers to bound orbiting states.
    Moulds RJ, Buntine MA, Lawrance WD.
    J Chem Phys; 2004 Sep 08; 121(10):4635-41. PubMed ID: 15332894
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  • 6. High-level ab initio potential energy surfaces and vibrational energies of H2CS.
    Yachmenev A, Yurchenko SN, Ribeyre T, Thiel W.
    J Chem Phys; 2011 Aug 21; 135(7):074302. PubMed ID: 21861565
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  • 7. Ab initio and analytic intermolecular potentials for Ar-CH(3)OH.
    Tasić U, Alexeev Y, Vayner G, Crawford TD, Windus TL, Hase WL.
    Phys Chem Chem Phys; 2006 Oct 28; 8(40):4678-84. PubMed ID: 17047766
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  • 8. Ab initio ground and excited state potential energy surfaces for NO-Kr complex and dynamics of Kr solids with NO impurity.
    Castro-Palacios JC, Rubayo-Soneira J, Ishii K, Yamashita K.
    J Chem Phys; 2007 Apr 07; 126(13):134315. PubMed ID: 17430040
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  • 9. Interaction electric hyperpolarizability effects in weakly bound H(2)O...Rg (Rg = He, Ne, Ar, Kr and Xe) complexes.
    Haskopoulos A, Maroulis G.
    J Phys Chem A; 2010 Aug 26; 114(33):8730-41. PubMed ID: 20443606
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  • 10. 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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  • 11. Ab initio wavenumber accurate spectroscopy: 1CH2 and HCN vibrational levels on automatically generated IMLS potential energy surfaces.
    Dawes R, Wagner AF, Thompson DL.
    J Phys Chem A; 2009 Apr 23; 113(16):4709-21. PubMed ID: 19371124
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  • 12. A new ab initio ground-state dipole moment surface for the water molecule.
    Lodi L, Tolchenov RN, Tennyson J, Lynas-Gray AE, Shirin SV, Zobov NF, Polyansky OL, Császár AG, van Stralen JN, Visscher L.
    J Chem Phys; 2008 Jan 28; 128(4):044304. PubMed ID: 18247946
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  • 13. Theoretical studies of potential energy surface and rotational spectra of Xe-H(2)O van der Waals complex.
    Wang L, Yang M.
    J Chem Phys; 2008 Nov 07; 129(17):174305. PubMed ID: 19045345
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  • 14. Ab initio intermolecular potential energy surface, bound states, and microwave spectra for the van der Waals complex Ne-HCCCN.
    Zhou Y, Xie D.
    J Chem Phys; 2005 May 01; 122(17):174312. PubMed ID: 15910037
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  • 15. A new ab initio intermolecular potential energy surface and predicted rotational spectra of the Kr-H2O complex.
    Lei J, Zhou Y, Xie D, Zhu H.
    J Chem Phys; 2012 Dec 14; 137(22):224314. PubMed ID: 23249010
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  • 16. Accurate intermolecular ground state potential of the Ne-N2 van der Waals complex.
    Munteanu CR, López Cacheiro J, Fernández B.
    J Chem Phys; 2004 May 15; 120(19):9104-12. PubMed ID: 15267846
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  • 17. A quantum chemical study of H2S2: Intramolecular torsional mode and intermolecular interactions with rare gases.
    Maciel GS, Barreto PR, Palazzetti F, Lombardi A, Aquilanti V.
    J Chem Phys; 2008 Oct 28; 129(16):164302. PubMed ID: 19045261
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  • 19. Ab initio intermolecular potential-energy surface and microwave spectra for the Ne-OCS complex.
    Zhu H, Zhou Y, Xie D.
    J Chem Phys; 2005 Jun 15; 122(23):234312. PubMed ID: 16008446
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  • 20. Theoretical prediction of noble-gas compounds: Ng-Pd-Ng and Ng-Pt-Ng.
    Taketsugu Y, Taketsugu T, Noro T.
    J Chem Phys; 2006 Oct 21; 125(15):154308. PubMed ID: 17059256
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