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Journal Abstract Search

2849 related items for PubMed ID: 16999525

  • 1. Characterization of singlet ground and low-lying electronic excited states of phosphaethyne and isophosphaethyne.
    Ingels JB, Turney JM, Richardson NA, Yamaguchi Y, Schaefer HF.
    J Chem Phys; 2006 Sep 14; 125(10):104306. PubMed ID: 16999525
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  • 4. The singlet electronic ground state isomers of dialuminum monoxide: AlOAl, AlAlO, and the transition state connecting them.
    Turney JM, Sari L, Yamaguchi Y, Schaefer HF.
    J Chem Phys; 2005 Mar 01; 122(9):094304. PubMed ID: 15836125
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  • 7. 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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  • 8. 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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  • 9. Elementary constituents of microdevices: the Ge2H fragment.
    Wang H, Wang S, Yamaguchi Y, Schaefer HF.
    J Chem Phys; 2006 Oct 28; 125(16):164317. PubMed ID: 17092083
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  • 12. Characterization of the X2A1, A2B1, and X2Pi electronic states of the Ga2H molecule and the X2A' and A 2A" isomerization transition states connecting the three minima.
    Wang H, Wang S, Yan G, Yamaguchi Y, Schaefer HF.
    J Chem Phys; 2006 Jan 28; 124(4):044309. PubMed ID: 16460164
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  • 13. Coupled cluster investigation on the low-lying electronic states of CuCN and CuNC and the ground state barrier to isomerization.
    Paul A, Yamaguchi Y, Schaefer HF.
    J Chem Phys; 2007 Oct 21; 127(15):154324. PubMed ID: 17949166
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  • 14. A benchmark theoretical study of the electronic ground state and of the singlet-triplet split of benzene and linear acenes.
    Hajgató B, Szieberth D, Geerlings P, De Proft F, Deleuze MS.
    J Chem Phys; 2009 Dec 14; 131(22):224321. PubMed ID: 20001050
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  • 15. 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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  • 16. Renner-Teller bending frequencies of the approximately A 2Pi state of OCS+.
    Wheeler SE, Simmonett AC, Schaefer HF.
    J Phys Chem A; 2007 May 24; 111(20):4551-5. PubMed ID: 17444622
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  • 18. From acetylene complexes to vinylidene structures: The GeC(2) H(2) system.
    Hao Q, Simmonett AC, Yamaguchi Y, Fang DC, Schaefer HF.
    J Comput Chem; 2011 Jan 15; 32(1):15-22. PubMed ID: 20602443
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  • 20. 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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