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666 related items for PubMed ID: 18688365

  • 61. A new ab initio potential energy surface and microwave and infrared spectra for the Ne-CO(2) complex.
    Chen R, Jiao E, Zhu H, Xie D.
    J Chem Phys; 2010 Sep 14; 133(10):104302. PubMed ID: 20849167
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  • 62. Exploring excited-state hydrogen atom transfer along an ammonia wire cluster: competitive reaction paths and vibrational mode selectivity.
    Tanner C, Manca C, Leutwyler S.
    J Chem Phys; 2005 May 22; 122(20):204326. PubMed ID: 15945743
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  • 63. High-resolution infrared spectroscopy of jet cooled CH2Br radicals: The symmetric CH stretch manifold and absence of nuclear spin cooling.
    Kortyna A, Doney K, Nesbitt DJ.
    J Chem Phys; 2020 Apr 07; 152(13):134305. PubMed ID: 32268751
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  • 64. Single surface beyond Born-Oppenheimer equation for a three-state model Hamiltonian of Na3 cluster.
    Kumar Paul A, Sardar S, Sarkar B, Adhikari S.
    J Chem Phys; 2009 Sep 28; 131(12):124312. PubMed ID: 19791886
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  • 65. Towards understanding the nature of the intensities of overtone vibrational transitions.
    Medvedev ES.
    J Chem Phys; 2012 Nov 07; 137(17):174307. PubMed ID: 23145731
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  • 66. Molecular structures of the two most stable conformers of free glycine.
    Kasalová V, Allen WD, Schaefer HF, Czinki E, Császár AG.
    J Comput Chem; 2007 Jun 07; 28(8):1373-83. PubMed ID: 17342702
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  • 67. The importance of tunneling in the first hydrogenation step in ammonia synthesis over a Ru(0001) surface.
    Tautermann CS, Clary DC.
    J Chem Phys; 2005 Apr 01; 122(13):134702. PubMed ID: 15847484
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  • 68. The Al+ -H(2) cation complex: rotationally resolved infrared spectrum, potential energy surface, and rovibrational calculations.
    Emmeluth C, Poad BL, Thompson CD, Weddle G, Bieske EJ, Buchachenko AA, Grinev TA, Kłos J.
    J Chem Phys; 2007 Oct 28; 127(16):164310. PubMed ID: 17979341
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  • 69. Infrared laser spectroscopy of CH3...HF in helium nanodroplets: The exit-channel complex of the F + CH4 reaction.
    Merritt JM, Rudić S, Miller RE.
    J Chem Phys; 2006 Feb 28; 124(8):084301. PubMed ID: 16512710
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  • 70. Photochemical reactivity of 2-vinylbiphenyl and 2-vinyl-1,3-terphenyl: the balance between nonadiabatic and adiabatic photocyclization.
    Boggio-Pasqua M, Bearpark MJ, Ogliaro F, Robb MA.
    J Am Chem Soc; 2006 Aug 16; 128(32):10533-40. PubMed ID: 16895421
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  • 71. Quantum wave packet ab initio molecular dynamics: an approach to study quantum dynamics in large systems.
    Iyengar SS, Jakowski J.
    J Chem Phys; 2005 Mar 15; 122(11):114105. PubMed ID: 15836199
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  • 72. Communication: A new ab initio potential energy surface for HCl-H2O, diffusion Monte Carlo calculations of D0 and a delocalized zero-point wavefunction.
    Mancini JS, Bowman JM.
    J Chem Phys; 2013 Mar 28; 138(12):121102. PubMed ID: 23556702
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  • 73. Ab initio treatment of the chemical reaction precursor complex Cl(2P)-HF. 2. Bound states and infrared spectrum.
    Fishchuk AV, Groenenboom GC, van der Avoird A.
    J Phys Chem A; 2006 Apr 27; 110(16):5280-8. PubMed ID: 16623453
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  • 74. Reduced dimensionality quantum dynamics of Cl + CH4 --> HCl + CH3 on an ab initio potential.
    Banks ST, Clary DC.
    Phys Chem Chem Phys; 2007 Feb 28; 9(8):933-43. PubMed ID: 17301883
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  • 75. Communication: Prediction of the rate constant of bimolecular hydrogen exchange in the water dimer using an ab initio potential energy surface.
    Wang Y, Bowman JM, Huang X.
    J Chem Phys; 2010 Sep 21; 133(11):111103. PubMed ID: 20866118
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  • 76. Accurate ab initio determination of the adiabatic potential energy function and the Born-Oppenheimer breakdown corrections for the electronic ground state of LiH isotopologues.
    Holka F, Szalay PG, Fremont J, Rey M, Peterson KA, Tyuterev VG.
    J Chem Phys; 2011 Mar 07; 134(9):094306. PubMed ID: 21384968
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  • 77. Conical intersections involving the dissociative 1pisigma* state in 9H-adenine: a quantum chemical ab initio study.
    Credo Chung W, Lan Z, Ohtsuki Y, Shimakura N, Domcke W, Fujimura Y.
    Phys Chem Chem Phys; 2007 May 07; 9(17):2075-84. PubMed ID: 17464388
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  • 78. Simple and accurate method to evaluate tunneling splitting in polyatomic molecules.
    Mil'nikov GV, Yagi K, Taketsugu T, Nakamura H, Hirao K.
    J Chem Phys; 2004 Mar 15; 120(11):5036-45. PubMed ID: 15267369
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  • 79. Thermochemistry of the HOSO radical, a key intermediate in fossil fuel combustion.
    Wheeler SE, Schaefer HF.
    J Phys Chem A; 2009 Jun 18; 113(24):6779-88. PubMed ID: 19459665
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  • 80. Analysis of the HOOO torsional potential.
    Beames JM, Lester MI, Murray C, Varner ME, Stanton JF.
    J Chem Phys; 2011 Jan 28; 134(4):044304. PubMed ID: 21280722
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