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Journal Abstract Search

500 related items for PubMed ID: 22280758

  • 1.
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  • 2. Ab initio large-amplitude quantum-tunneling dynamics in vinyl radical: a vibrationally adiabatic approach.
    Nesbitt DJ, Dong F.
    Phys Chem Chem Phys; 2008 Apr 21; 10(15):2113-22. PubMed ID: 18688365
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  • 6. High-resolution infrared spectroscopy of jet-cooled vinyl radical: symmetric CH2 stretch excitation and tunneling dynamics.
    Dong F, Roberts M, Nesbitt DJ.
    J Chem Phys; 2008 Jan 28; 128(4):044305. PubMed ID: 18247947
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  • 7. Pulsed laser photolysis and quantum chemical-statistical rate study of the reaction of the ethynyl radical with water vapor.
    Carl SA, Nguyen HM, Elsamra RM, Nguyen MT, Peeters J.
    J Chem Phys; 2005 Mar 15; 122(11):114307. PubMed ID: 15836215
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  • 8. 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
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  • 9. Ab initio potential energy and dipole moment surfaces of (H2O)2.
    Huang X, Braams BJ, Bowman JM.
    J Phys Chem A; 2006 Jan 19; 110(2):445-51. PubMed ID: 16405316
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  • 10. New ab initio potential energy surface and the vibration-rotation-tunneling levels of (H2O)2 and (D2O)2.
    Huang X, Braams BJ, Bowman JM, Kelly RE, Tennyson J, Groenenboom GC, van der Avoird A.
    J Chem Phys; 2008 Jan 21; 128(3):034312. PubMed ID: 18205503
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  • 11. Full-dimensional ab initio potential energy surface and vibrational configuration interaction calculations for vinyl.
    Sharma AR, Braams BJ, Carter S, Shepler BC, Bowman JM.
    J Chem Phys; 2009 May 07; 130(17):174301. PubMed ID: 19425770
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  • 12. Infrared spectroscopy and tunneling dynamics of the vinyl radical in 4He nanodroplets.
    Raston PL, Liang T, Douberly GE.
    J Chem Phys; 2013 May 07; 138(17):174302. PubMed ID: 23656129
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  • 13. Reduced-dimensional quantum approach to tunneling splittings using saddle-point normal coordinates.
    Kamarchik E, Wang Y, Bowman J.
    J Phys Chem A; 2009 Jul 02; 113(26):7556-62. PubMed ID: 19552477
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  • 14. 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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  • 15. Basis set dependence of higher-order correlation effects in π-type interactions.
    Carrell EJ, Thorne CM, Tschumper GS.
    J Chem Phys; 2012 Jan 07; 136(1):014103. PubMed ID: 22239765
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  • 16. Accurate ab initio structure, dissociation energy, and vibrational spectroscopy of the F(-)-CH4 anion complex.
    Czakó G, Braams BJ, Bowman JM.
    J Phys Chem A; 2008 Aug 14; 112(32):7466-72. PubMed ID: 18651724
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  • 17. Ab initio calculations on SCl2 and low-lying cationic states of SCl2+: Franck-Condon simulation of the UV photoelectron spectrum of SCl2.
    Mok DK, Chau FT, Lee EP, Dyke JM.
    J Chem Phys; 2006 Sep 14; 125(10):104303. PubMed ID: 16999522
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  • 18. Acceptor tunneling motion and O-H stretching vibration overtones of the water dimer.
    Hänninen V, Salmi T, Halonen L.
    J Phys Chem A; 2009 Jun 25; 113(25):7133-7. PubMed ID: 19489600
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  • 19. Role of OH-stretch/torsion coupling and quantum yield effects in the first OH overtone spectrum of cis-cis HOONO.
    McCoy AB, Fry JL, Francisco JS, Mollner AK, Okumura M.
    J Chem Phys; 2005 Mar 08; 122(10):104311. PubMed ID: 15836319
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  • 20. Global analytical potential energy surface for the electronic ground state of NH3 from high level ab initio calculations.
    Marquardt R, Sagui K, Zheng J, Thiel W, Luckhaus D, Yurchenko S, Mariotti F, Quack M.
    J Phys Chem A; 2013 Aug 15; 117(32):7502-22. PubMed ID: 23688044
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