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Journal Abstract Search

303 related items for PubMed ID: 17608394

  • 21. Methyl cation affinities of rare gases and nitrogen and the heat of formation of diazomethane.
    Dixon DA, de Jong WA, Peterson KA, McMahon TB.
    J Phys Chem A; 2005 May 12; 109(18):4073-80. PubMed ID: 16833729
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  • 24. 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
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  • 25. Benchmark database of accurate (MP2 and CCSD(T) complete basis set limit) interaction energies of small model complexes, DNA base pairs, and amino acid pairs.
    Jurecka P, Sponer J, Cerný J, Hobza P.
    Phys Chem Chem Phys; 2006 May 07; 8(17):1985-93. PubMed ID: 16633685
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  • 26. Full potential energy curve for N2 by the reduced multireference coupled-cluster method.
    Li X, Paldus J.
    J Chem Phys; 2008 Aug 07; 129(5):054104. PubMed ID: 18698885
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  • 27. Highly accurate CCSD(T) and DFT-SAPT stabilization energies of H-bonded and stacked structures of the uracil dimer.
    Pitonák M, Riley KE, Neogrády P, Hobza P.
    Chemphyschem; 2008 Aug 04; 9(11):1636-44. PubMed ID: 18574830
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  • 28. Extrapolating potential energy surfaces by scaling electron correlation: isomerization of bicyclobutane to butadiene.
    Lutz JJ, Piecuch P.
    J Chem Phys; 2008 Apr 21; 128(15):154116. PubMed ID: 18433199
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  • 29. Pi and sigma-phenylethynyl radicals and their isomers o-, m-, and p-ethynylphenyl: structures, energetics, and electron affinities.
    Sreeruttun RK, Ramasami P, Wannere CS, Simmonett AC, Schaefer HF.
    J Phys Chem A; 2008 Apr 03; 112(13):2838-45. PubMed ID: 18335906
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  • 30. Computational study of the release of H2 from ammonia borane dimer (BH3NH3)2 and its ion pair isomers.
    Nguyen VS, Matus MH, Grant DJ, Nguyen MT, Dixon DA.
    J Phys Chem A; 2007 Sep 13; 111(36):8844-56. PubMed ID: 17705356
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  • 31. Accurate calculation of vibrational frequencies using explicitly correlated coupled-cluster theory.
    Rauhut G, Knizia G, Werner HJ.
    J Chem Phys; 2009 Feb 07; 130(5):054105. PubMed ID: 19206956
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  • 32. Definitive ab initio studies of model SN2 reactions CH(3)X+F- (X=F, Cl, CN, OH, SH, NH(2), PH(2)).
    Gonzales JM, Pak C, Cox RS, Allen WD, Schaefer III HF, Császár AG, Tarczay G.
    Chemistry; 2003 May 23; 9(10):2173-92. PubMed ID: 12772292
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  • 34. Accurate description of intermolecular interactions involving ions using symmetry-adapted perturbation theory.
    Lao KU, Schäffer R, Jansen G, Herbert JM.
    J Chem Theory Comput; 2015 Jun 09; 11(6):2473-86. PubMed ID: 26575547
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  • 35. A combined density functional theory and coupled cluster method investigation of the structural properties and stabilities of radical CH(2)CP and its isomers.
    Yu HT, Li MX, Han KL.
    J Phys Chem A; 2006 Feb 23; 110(7):2411-20. PubMed ID: 16480300
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  • 36. Mutagenic product formation due to reaction of guanine radical cation with nitrogen dioxide.
    Agnihotri N, Mishra PC.
    J Phys Chem B; 2009 Mar 12; 113(10):3129-38. PubMed ID: 19708266
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  • 37. Accurate ab initio potential energy surface, dynamics, and thermochemistry of the F+CH4-->HF+CH3 reaction.
    Czakó G, Shepler BC, Braams BJ, Bowman JM.
    J Chem Phys; 2009 Feb 28; 130(8):084301. PubMed ID: 19256605
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  • 38. Renormalized coupled-cluster methods exploiting left eigenstates of the similarity-transformed Hamiltonian.
    Piecuch P, Włoch M.
    J Chem Phys; 2005 Dec 08; 123(22):224105. PubMed ID: 16375468
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  • 39. Characterization of the HSiN_HNSi system in its electronic ground state.
    Lind MC, Pickard FC, Ingels JB, Paul A, Yamaguchi Y, Schaefer HF.
    J Chem Phys; 2009 Mar 14; 130(10):104301. PubMed ID: 19292528
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  • 40. 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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