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Journal Abstract Search

1025 related items for PubMed ID: 15945731

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  • 4. Direct ab initio dynamics study on the rate constants and kinetics isotope effects of CH(3)O+H-->CH(2)O+H(2) reaction.
    Li QS, Zhang Y, Zhang S.
    J Chem Phys; 2004 Nov 15; 121(19):9474-80. PubMed ID: 15538868
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  • 6. High accuracy ab initio studies of Li6+, Li6-, and three isomers of Li6.
    Temelso B, Sherrill CD.
    J Chem Phys; 2005 Feb 08; 122(6):064315. PubMed ID: 15740380
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  • 7. Ab initio calculation of bowl, cage, and ring isomers of C20 and C20-.
    An W, Gao Y, Bulusu S, Zeng XC.
    J Chem Phys; 2005 May 22; 122(20):204109. PubMed ID: 15945715
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  • 8. Water dimer radical cation: structures, vibrational frequencies, and energetics.
    Cheng Q, Evangelista FA, Simmonett AC, Yamaguchi Y, Schaefer HF.
    J Phys Chem A; 2009 Dec 10; 113(49):13779-89. PubMed ID: 19891464
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  • 9. Structures and stability of medium silicon clusters. II. Ab initio molecular orbital calculations of Si12-Si20.
    Zhu XL, Zeng XC, Lei YA, Pan B.
    J Chem Phys; 2004 May 15; 120(19):8985-95. PubMed ID: 15267834
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  • 11. Basis set and electron correlation effects on the polarizability and second hyperpolarizability of model open-shell pi-conjugated systems.
    Champagne B, Botek E, Nakano M, Nitta T, Yamaguchi K.
    J Chem Phys; 2005 Mar 15; 122(11):114315. PubMed ID: 15839724
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  • 12. Triplet states of cyclopropenylidene and its isomers.
    Wu Q, Cheng Q, Yamaguchi Y, Li Q, Schaefer HF.
    J Chem Phys; 2010 Jan 28; 132(4):044308. PubMed ID: 20113034
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  • 13. Structures and electron affinities of the di-arsenic fluorides As2Fn/As2Fn- (n=1-8).
    Kasalová V, Schaefer HF.
    J Comput Chem; 2005 Apr 15; 26(5):411-35. PubMed ID: 15688438
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  • 14. Structures and energetics of H(6)(+) clusters.
    Hao Q, Simmonett AC, Yamaguchi Y, Fang DC, Schaefer HF.
    J Phys Chem A; 2009 Dec 03; 113(48):13608-20. PubMed ID: 19852448
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  • 15. Low-lying quartet electronic states of nitrogen dioxide.
    Bera PP, Yamaguchi Y, Schaefer HF.
    J Chem Phys; 2007 Nov 07; 127(17):174303. PubMed ID: 17994814
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  • 16. Ab initio study of hydrogen-bond formation between aliphatic and phenolic hydroxy groups and selected amino acid side chains.
    Nagy PI, Erhardt PW.
    J Phys Chem A; 2008 May 08; 112(18):4342-54. PubMed ID: 18373368
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  • 17. Mono- and dibridged isomers of Si2H3 and Si2H4: the true ground state global minima. Theory and experiment in concert.
    Sari L, McCarthy MC, Schaefer HF, Thaddeus P.
    J Am Chem Soc; 2003 Sep 17; 125(37):11409-17. PubMed ID: 16220964
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  • 18. An ab initio benchmark study of hydrogen bonded formamide dimers.
    Frey JA, Leutwyler S.
    J Phys Chem A; 2006 Nov 16; 110(45):12512-8. PubMed ID: 17091957
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  • 19. The triplet state of cytosine and its derivatives: electron impact and quantum chemical study.
    Abouaf R, Pommier J, Dunet H, Quan P, Nam PC, Nguyen MT.
    J Chem Phys; 2004 Dec 15; 121(23):11668-74. PubMed ID: 15634133
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