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820 related items for PubMed ID: 19655878

  • 1. The intermolecular potential energy surface of the ground electronic state of the O2-H2 complex.
    Fawzy WM.
    J Chem Phys; 2009 Jul 28; 131(4):044318. PubMed ID: 19655878
    [Abstract] [Full Text] [Related]

  • 2. Ab initio study of the intermolecular potential energy surface in the ion-induced-dipole hydrogen-bonded O2(-)(X2Πg)-H2(X1Σg(+)) complex.
    Fawzy WM.
    J Phys Chem A; 2012 Jan 26; 116(3):1069-76. PubMed ID: 22176502
    [Abstract] [Full Text] [Related]

  • 3. Correlated ab initio investigations on the intermolecular and intramolecular potential energy surfaces in the ground electronic state of the O2(-)(X2Πg)-HF(X1Σ+) complex.
    Fawzy WM, Elsayed M, Zhang Y.
    J Chem Phys; 2013 Jan 07; 138(1):014304. PubMed ID: 23298038
    [Abstract] [Full Text] [Related]

  • 4. 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
    [Abstract] [Full Text] [Related]

  • 5. Correlated ab initio study of the ground electronic state of the O2-HF complex.
    Fawzy WM.
    J Chem Phys; 2006 Apr 28; 124(16):164303. PubMed ID: 16674131
    [Abstract] [Full Text] [Related]

  • 6. 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
    [Abstract] [Full Text] [Related]

  • 7. 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
    [Abstract] [Full Text] [Related]

  • 8. Ab initio and analytic intermolecular potentials for Ar-CF4.
    Vayner G, Alexeev Y, Wang J, Windus TL, Hase WL.
    J Phys Chem A; 2006 Mar 09; 110(9):3174-8. PubMed ID: 16509641
    [Abstract] [Full Text] [Related]

  • 9. An ab initio benchmark study of hydrogen bonded formamide dimers.
    Frey JA, Leutwyler S.
    J Phys Chem A; 2006 Nov 16; 110(45):12512-8. PubMed ID: 17091957
    [Abstract] [Full Text] [Related]

  • 10. 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
    [Abstract] [Full Text] [Related]

  • 11. Accurate intermolecular ground state potential of the Ar-N2 van der Waals complex.
    Munteanu CR, Cacheiro JL, Fernández B.
    J Chem Phys; 2004 Dec 01; 121(21):10419-25. PubMed ID: 15549922
    [Abstract] [Full Text] [Related]

  • 12. Potential-energy surface for the electronic ground state of NH3 up to 20,000 cm-1 above equilibrium.
    Yurchenko SN, Zheng J, Lin H, Jensen P, Thiel W.
    J Chem Phys; 2005 Oct 01; 123(13):134308. PubMed ID: 16223289
    [Abstract] [Full Text] [Related]

  • 13. An exploration of electronic structure and nuclear dynamics in tropolone: II. The A (1)B2 (pi* pi) excited state.
    Burns LA, Murdock D, Vaccaro PH.
    J Chem Phys; 2009 Apr 14; 130(14):144304. PubMed ID: 19368442
    [Abstract] [Full Text] [Related]

  • 14. Ab initio study of hydrogen-bond formation between aliphatic and phenolic hydroxy groups and selected amino acid side chains.
    Nagy PI, Erhardt PW.
    J Phys Chem A; 2008 May 08; 112(18):4342-54. PubMed ID: 18373368
    [Abstract] [Full Text] [Related]

  • 15. Ab initio investigation of the NH(X)-N2 van der Waals complex.
    Fawzy WM, Heaven MC.
    J Chem Phys; 2007 Apr 21; 126(15):154311. PubMed ID: 17461630
    [Abstract] [Full Text] [Related]

  • 16. Spectroscopy and potential energy surface of the H2-CO2 van der Waals complex: experimental and theoretical studies.
    Wang L, Yang M, McKellar AR, Zhang DH.
    Phys Chem Chem Phys; 2007 Jan 07; 9(1):131-7. PubMed ID: 17164895
    [Abstract] [Full Text] [Related]

  • 17. Vibrational energies of PH3 calculated variationally at the complete basis set limit.
    Ovsyannikov RI, Thiel W, Yurchenko SN, Carvajal M, Jensen P.
    J Chem Phys; 2008 Jul 28; 129(4):044309. PubMed ID: 18681648
    [Abstract] [Full Text] [Related]

  • 18. Isomers of the uracil dimer: an ab initio benchmark study.
    Frey JA, Müller A, Losada M, Leutwyler S.
    J Phys Chem B; 2007 Apr 05; 111(13):3534-42. PubMed ID: 17388514
    [Abstract] [Full Text] [Related]

  • 19. The H(2)O(++) Ground State Potential Energy Surface.
    Bunker PR, Bludsky O, Jensen P, Wesolowski SS, Van Huis TJ, Yamaguchi Y, Schaefer HF.
    J Mol Spectrosc; 1999 Dec 05; 198(2):371-375. PubMed ID: 10547318
    [Abstract] [Full Text] [Related]

  • 20. Characterization of singlet ground and low-lying electronic excited states of phosphaethyne and isophosphaethyne.
    Ingels JB, Turney JM, Richardson NA, Yamaguchi Y, Schaefer HF.
    J Chem Phys; 2006 Sep 14; 125(10):104306. PubMed ID: 16999525
    [Abstract] [Full Text] [Related]

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