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Journal Abstract Search

201 related items for PubMed ID: 16351234

  • 21. Toward eliminating the electronic structure bottleneck in nonadiabatic dynamics on the fly: an algorithm to fit nonlocal, quasidiabatic, coupled electronic state Hamiltonians based on ab initio electronic structure data.
    Zhu X, Yarkony DR.
    J Chem Phys; 2010 Mar 14; 132(10):104101. PubMed ID: 20232941
    [Abstract] [Full Text] [Related]

  • 22. Conical intersection between the lowest spin-aligned Li3(4A') potential-energy surfaces.
    Brue DA, Li X, Parker GA.
    J Chem Phys; 2005 Sep 01; 123(9):91101. PubMed ID: 16164333
    [Abstract] [Full Text] [Related]

  • 23. On the characterization of three-state conical intersections using a group homomorphism approach: the two-state degeneracy spaces.
    Schuurman MS, Yarkony DR.
    J Phys Chem B; 2006 Sep 28; 110(38):19031-9. PubMed ID: 16986900
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  • 24. Three-state conical intersections in cytosine and pyrimidinone bases.
    Kistler KA, Matsika S.
    J Chem Phys; 2008 Jun 07; 128(21):215102. PubMed ID: 18537450
    [Abstract] [Full Text] [Related]

  • 25. metaFALCON: A Program Package for Automatic Sampling of Conical Intersection Seams Using Multistate Metadynamics.
    Lindner JO, Sultangaleeva K, Röhr MIS, Mitrić R.
    J Chem Theory Comput; 2019 Jun 11; 15(6):3450-3460. PubMed ID: 30995044
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  • 26. An extended conical intersection seam associated with a manifold of decay paths: excited-state intramolecular proton transfer in O-hydroxybenzaldehyde.
    Migani A, Blancafort L, Robb MA, DeBellis AD.
    J Am Chem Soc; 2008 Jun 04; 130(22):6932-3. PubMed ID: 18473460
    [Abstract] [Full Text] [Related]

  • 27. New Algorithms for Optimizing and Linking Conical Intersection Points.
    Sicilia F, Blancafort L, Bearpark MJ, Robb MA.
    J Chem Theory Comput; 2008 Feb 04; 4(2):257-66. PubMed ID: 26620657
    [Abstract] [Full Text] [Related]

  • 28. On the vibronic coupling approximation: a generally applicable approach for determining fully quadratic quasidiabatic coupled electronic state Hamiltonians.
    Schuurman MS, Yarkony DR.
    J Chem Phys; 2007 Sep 07; 127(9):094104. PubMed ID: 17824729
    [Abstract] [Full Text] [Related]

  • 29. Analytical potential energy surfaces for N(3) low-lying doublet states.
    Wang Z, Kerkines IS, Morokuma K, Zhang P.
    J Chem Phys; 2009 Jan 28; 130(4):044313. PubMed ID: 19191391
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  • 32. Can a single-reference approach provide a balanced description of ground and excited states? A comparison of the completely renormalized equation-of-motion coupled-cluster method with multireference quasidegenerate perturbation theory near a conical intersection and along a photodissociation coordinate in ammonia.
    Nangia S, Truhlar DG, McGuire MJ, Piecuch P.
    J Phys Chem A; 2005 Dec 29; 109(51):11643-6. PubMed ID: 16366611
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  • 33. Conical intersection seam and bound resonances embedded in continuum observed in the photodissociation of thioanisole-d3.
    Han S, Lim JS, Yoon JH, Lee J, Kim SY, Kim SK.
    J Chem Phys; 2014 Feb 07; 140(5):054307. PubMed ID: 24511940
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  • 37. Quasi-diabatic representations of adiabatic potential energy surfaces coupled by conical intersections including bond breaking: a more general construction procedure and an analysis of the diabatic representation.
    Zhu X, Yarkony DR.
    J Chem Phys; 2012 Dec 14; 137(22):22A511. PubMed ID: 23249048
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  • 38. Vibrational dynamics around the conical intersection: a study of methoxy vibrations on the X(2)E surface.
    Nagesh J, Sibert EL.
    Phys Chem Chem Phys; 2010 Aug 01; 12(29):8250-9. PubMed ID: 20498893
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  • 39. Potential energy surface intersections in the C(1D)H2 reactive system.
    Liu X, Bian W, Zhao X, Tao X.
    J Chem Phys; 2006 Aug 21; 125(7):074306. PubMed ID: 16942338
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