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186 related items for PubMed ID: 21054035

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  • 5. Cyclic-N3. II. Significant geometric phase effects in the vibrational spectra.
    Babikov D, Kendrick BK, Zhang P, Morokuma K.
    J Chem Phys; 2005 Jan 22; 122(4):44315. PubMed ID: 15740256
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  • 6. Highly accurate potential-energy and dipole moment surfaces for vibrational state calculations of methane.
    Oyanagi C, Yagi K, Taketsugu T, Hirao K.
    J Chem Phys; 2006 Feb 14; 124(6):64311. PubMed ID: 16483211
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  • 9. The calculated infrared spectrum of Cl-H2O using a new full dimensional ab initio potential surface and dipole moment surface.
    Rheinecker J, Bowman JM.
    J Chem Phys; 2006 Oct 07; 125(13):133206. PubMed ID: 17029453
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  • 11. SiH2Cl2: ab initio anharmonic force field, dipole moments, and infrared vibrational transitions.
    Liu AW, Hu SM, Zhu QS.
    J Chem Phys; 2005 Nov 01; 123(17):174305. PubMed ID: 16375526
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  • 15. Experimental and theoretical study of the electronic spectrum of the methylene amidogen radical (H2CN): verification of the 2A1 <-- 2B2 assignment.
    Teslja A, Dagdigian PJ, Banck M, Eisfeld W.
    J Phys Chem A; 2006 Jun 29; 110(25):7826-34. PubMed ID: 16789769
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  • 16. Ab initio calculation of the rotational spectrum of methane vibrational ground state.
    Cassam-Chenaï P, Liévin J.
    J Chem Phys; 2012 May 07; 136(17):174309. PubMed ID: 22583232
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  • 17. Experimental and Ab Initio Studies of the HDO Absorption Spectrum in the 13 165-13 500 cm(-1) Spectral Region.
    Naumenko O, Bertseva E, Campargue A, Schwenke DW.
    J Mol Spectrosc; 2000 Jun 07; 201(2):297-309. PubMed ID: 10814493
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  • 18. The calculated infrared spectrum of Cl- H2O using a full dimensional ab initio potential surface and dipole moment surface.
    Rheinecker JL, Bowman JM.
    J Chem Phys; 2006 Apr 07; 124(13):131102. PubMed ID: 16613440
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  • 19. The rotational spectrum and dynamical structure of LiOH and LiOD: a combined laboratory and ab initio study.
    Higgins KJ, Freund SM, Klemperer W, Apponi AJ, Ziurys LM.
    J Chem Phys; 2004 Dec 15; 121(23):11715-30. PubMed ID: 15634137
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  • 20. Theory of the photodissociation of ozone in the Hartley continuum: potential energy surfaces, conical intersections, and photodissociation dynamics.
    Baloïtcha E, Balint-Kurti GG.
    J Chem Phys; 2005 Jul 01; 123(1):014306. PubMed ID: 16035834
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