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220 related items for PubMed ID: 16050751

  • 1. The HCSHSC and HCS+HSC+ systems: molecular properties, isomerization, and energetics.
    Puzzarini C.
    J Chem Phys; 2005 Jul 08; 123(2):24313. PubMed ID: 16050751
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  • 2. The energetics and structural properties of diazomethyl (HCNN) and cyanomidyl (HNCN) radicals and their related cations and anions from ab initio calculations.
    Puzzarini C, Gambi A.
    J Chem Phys; 2005 Feb 08; 122(6):064316. PubMed ID: 15740381
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  • 4. 1-Germavinylidene (Ge═CH2), germyne (HGeCH), and 2-germavinylidene (H2Ge═C) molecules and isomerization reactions among them: anharmonic rovibrational analyses.
    Hao Q, Lu T, Wilke JJ, Simmonett AC, Yamaguchi Y, Fang DC, Schaefer HF.
    J Phys Chem A; 2012 May 10; 116(18):4578-89. PubMed ID: 22490267
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  • 5. An ab initio study of the lowest electronic states of yttrium dicarbide, YC2.
    Puzzarini C, Peterson KA.
    J Chem Phys; 2005 Feb 22; 122(8):84323. PubMed ID: 15836055
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  • 8. Optimized Slater-type basis sets for the elements 1-118.
    Van Lenthe E, Baerends EJ.
    J Comput Chem; 2003 Jul 15; 24(9):1142-56. PubMed ID: 12759913
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  • 9. 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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  • 12. 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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  • 14. Third-order Douglas-Kroll relativistic coupled-cluster theory through connected single, double, triple, and quadruple substitutions: applications to diatomic and triatomic hydrides.
    Hirata S, Yanai T, de Jong WA, Nakajima T, Hirao K.
    J Chem Phys; 2004 Feb 15; 120(7):3297-310. PubMed ID: 15268484
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  • 15. Protonated carbonyl sulfide: prospects for the spectroscopic observation of the elusive HSCO+ isomer.
    Wheeler SE, Yamaguchi Y, Schaefer HF.
    J Chem Phys; 2006 Jan 28; 124(4):044322. PubMed ID: 16460177
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  • 18. Heats of formation of diphosphene, phosphinophosphinidene, diphosphine, and their methyl derivatives, and mechanism of the borane-assisted hydrogen release.
    Matus MH, Nguyen MT, Dixon DA.
    J Phys Chem A; 2007 Mar 08; 111(9):1726-36. PubMed ID: 17298044
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  • 19. F+ and F⁻ affinities of simple N(x)F(y) and O(x)F(y) compounds.
    Grant DJ, Wang TH, Vasiliu M, Dixon DA, Christe KO.
    Inorg Chem; 2011 Mar 07; 50(5):1914-25. PubMed ID: 21271710
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