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Journal Abstract Search

242 related items for PubMed ID: 19569708

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  • 3. Computational investigation of the conrotatory and disrotatory isomerization channels of bicyclo[1.1.0]butane to buta-1,3-diene: a completely renormalized coupled-cluster study.
    Kinal A, Piecuch P.
    J Phys Chem A; 2007 Feb 01; 111(4):734-42. PubMed ID: 17249766
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  • 6. Low-lying triplet states of diphosphene and diphosphinylidene.
    Lu T, Hao Q, Simmonett AC, Evangelista FA, Yamaguchi Y, Fang DC, Schaefer HF.
    J Phys Chem A; 2010 Oct 14; 114(40):10850-6. PubMed ID: 20836526
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  • 7. Diphosphene and diphosphinylidene.
    Lu T, Simmonett AC, Evangelista FA, Yamaguchi Y, Schaefer HF.
    J Phys Chem A; 2009 Nov 26; 113(47):13227-36. PubMed ID: 19594123
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  • 9. Coupled-cluster study of the electronic structure and energetics of tetrasulfur, S4.
    Matus MH, Dixon DA, Peterson KA, Harkless JA, Francisco JS.
    J Chem Phys; 2007 Nov 07; 127(17):174305. PubMed ID: 17994816
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  • 12. Reinvestigation of the reaction of ethylene and singlet oxygen by the approximate spin projection method. Comparison with multireference coupled-cluster calculations.
    Saito T, Nishihara S, Kataoka Y, Nakanishi Y, Kitagawa Y, Kawakami T, Yamanaka S, Okumura M, Yamaguchi K.
    J Phys Chem A; 2010 Aug 05; 114(30):7967-74. PubMed ID: 20666543
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  • 17. Cycloaddition of benzene on Si(100) and its surface conversions.
    Jung Y, Gordon MS.
    J Am Chem Soc; 2005 Mar 09; 127(9):3131-9. PubMed ID: 15740153
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  • 18. Importance of spin-orbit effects on the isomerism profile of Au3: an ab initio study.
    Rusakov AA, Rykova E, Scuseria GE, Zaitsevskii A.
    J Chem Phys; 2007 Oct 28; 127(16):164322. PubMed ID: 17979353
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