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1047 related items for PubMed ID: 18754601

  • 1. Molecular structures of chloro(phthalocyaninato)-aluminum(III) and -gallium(III) as determined by gas electron diffraction and quantum chemical calculations: quantum chemical calculations on fluoro(phthalocyaninato)-aluminum(III) and -gallium(III), chloro(tetrakis(1,2,5-thiadiazole)porphyrazinato)-aluminum(III) and -gallium(III) and comparison with their X-ray structures.
    Strenalyuk T, Samdal S, Volden HV.
    J Phys Chem A; 2008 Sep 25; 112(38):9075-82. PubMed ID: 18754601
    [Abstract] [Full Text] [Related]

  • 2. Molecular structure of phthalocyaninatotin(II) studied by gas-phase electron diffraction and high-level quantum chemical calculations.
    Strenalyuk T, Samdal S, Volden HV.
    J Phys Chem A; 2008 Oct 09; 112(40):10046-52. PubMed ID: 18767782
    [Abstract] [Full Text] [Related]

  • 3. Molecular structure of 9H-adenine tautomer: gas-phase electron diffraction and quantum-chemical studies.
    Vogt N, Dorofeeva OV, Sipachev VA, Rykov AN.
    J Phys Chem A; 2009 Dec 10; 113(49):13816-23. PubMed ID: 19863126
    [Abstract] [Full Text] [Related]

  • 4. Study of the thymine molecule: equilibrium structure from joint analysis of gas-phase electron diffraction and microwave data and assignment of vibrational spectra using results of ab initio calculations.
    Vogt N, Khaikin LS, Grikina OE, Rykov AN, Vogt J.
    J Phys Chem A; 2008 Aug 21; 112(33):7662-70. PubMed ID: 18665577
    [Abstract] [Full Text] [Related]

  • 5. Molecular structure, conformation, and potential to internal rotation of 2,6- and 3,5-difluoronitrobenzene studied by gas-phase electron diffraction and quantum chemical calculations.
    Dorofeeva OV, Ferenets AV, Karasev NM, Vilkov LV, Oberhammer H.
    J Phys Chem A; 2008 Jun 05; 112(22):5002-9. PubMed ID: 18461918
    [Abstract] [Full Text] [Related]

  • 6. Conformational structure of gaseous 3-chloropropanoyl chloride by electron diffraction, normal coordinate analysis, and ab initio molecular orbital, and density functional theory calculations.
    Johansen TH, Hagen K.
    J Phys Chem A; 2006 Sep 28; 110(38):11136-44. PubMed ID: 16986848
    [Abstract] [Full Text] [Related]

  • 7. Molecular structure of the trans and cis isomers of metal-free phthalocyanine studied by gas-phase electron diffraction and high-level quantum chemical calculations: NH tautomerization and calculated vibrational frequencies.
    Strenalyuk T, Samdal S, Volden HV.
    J Phys Chem A; 2008 May 29; 112(21):4853-60. PubMed ID: 18457372
    [Abstract] [Full Text] [Related]

  • 8. Thiadiazole-containing expanded heteroazaporphyrinoids: a gas-phase electron diffraction and computational structural study.
    Zakharov AV, Shlykov SA, Danilova EA, Krasnov AV, Islyaikin MK, Girichev GV.
    Phys Chem Chem Phys; 2009 Oct 14; 11(38):8570-9. PubMed ID: 19774289
    [Abstract] [Full Text] [Related]

  • 9. Molecular structures of phthalocyaninatozinc and hexadecafluorophthalocyaninatozinc studied by gas-phase electron diffraction and quantum chemical calculations.
    Strenalyuk T, Samdal S, Volden HV.
    J Phys Chem A; 2007 Nov 29; 111(47):12011-8. PubMed ID: 17979258
    [Abstract] [Full Text] [Related]

  • 10. Molecular structure of chloro-dodecafluorosubphthalocyanato boron(III) by gas-phase electron diffraction and quantum chemical calculations.
    Samdal S, Volden HV, Ferro VR, García de la Vega JM, Gonzalez-Rodríguez D, Torres T.
    J Phys Chem A; 2007 May 24; 111(20):4542-50. PubMed ID: 17447746
    [Abstract] [Full Text] [Related]

  • 11. Tetrakis(thiadiazole)porphyrazines. 4. Direct template synthesis, structure, general physicochemical behavior, and redox properties of Al(III), Ga(III), and In(III) complexes.
    Donzello MP, Agostinetto R, Ivanova SS, Fujimori M, Suzuki Y, Yoshikawa H, Shen J, Awaga K, Ercolani C, Kadish KM, Stuzhin PA.
    Inorg Chem; 2005 Nov 14; 44(23):8539-51. PubMed ID: 16270994
    [Abstract] [Full Text] [Related]

  • 12. Pillared layered structures based upon M(III) ethylene diphosphonates: the synthesis and crystal structures of M(III)(H(2)O)(HO(3)P(CH(2))(2)PO(3)) (M = Fe, Al, Ga).
    Merrill CA, Cheetham AK.
    Inorg Chem; 2005 Jul 25; 44(15):5273-7. PubMed ID: 16022525
    [Abstract] [Full Text] [Related]

  • 13. Molecular structure of trichloroethenylgermane, CH2=CH-GeCl3, as studied by gas-phase electron diffraction. experimental determination of the barrier of internal rotation of the trichlorogermyl group supplemented with quantum chemical calculations on CH2=CH-MX3 (M = C, Si, Ge, Sn, and X = H, Cl).
    Samdal S, Guillemin JC, Gundersen S.
    J Phys Chem A; 2010 Jun 03; 114(21):6331-5. PubMed ID: 20459079
    [Abstract] [Full Text] [Related]

  • 14. Molecular structure and benzene ring deformation of three cyanobenzenes from gas-phase electron diffraction and quantum chemical calculations.
    Campanelli AR, Domenicano A, Ramondo F, Hargittai I.
    J Phys Chem A; 2008 Oct 30; 112(43):10998-1008. PubMed ID: 18834088
    [Abstract] [Full Text] [Related]

  • 15. Tautomeric properties and gas-phase structure of 3-chloro-2,4-pentanedione.
    Belova NV, Oberhammer H, Girichev GV, Shlykov SA.
    J Phys Chem A; 2008 Apr 10; 112(14):3209-14. PubMed ID: 18321083
    [Abstract] [Full Text] [Related]

  • 16. Molecular structure and conformational composition of 1,3-dihydroxyacetone studied by combined analysis of gas-phase electron diffraction data, rotational constants, and results of theoretical calculations. Ideal gas thermodynamic properties of 1,3-dihydroxyacetone.
    Dorofeeva OV, Vogt N, Vogt J, Popik MV, Rykov AN, Vilkov LV.
    J Phys Chem A; 2007 Jul 19; 111(28):6434-42. PubMed ID: 17595068
    [Abstract] [Full Text] [Related]

  • 17. The molecular structure of selenium dibromide as determined by combined gas-phase electron diffraction-mass spectrometric experiments and quantum chemical calculations.
    Shlykov SA, Titov AV, Oberhammer H, Giricheva NI, Girichev GV.
    Phys Chem Chem Phys; 2008 Nov 14; 10(42):6438-45. PubMed ID: 18972032
    [Abstract] [Full Text] [Related]

  • 18. Ionothermal synthesis of two novel metal organophosphonates.
    Byrne PJ, Wragg DS, Warren JE, Morris RE.
    Dalton Trans; 2009 Feb 07; (5):795-9. PubMed ID: 19156272
    [Abstract] [Full Text] [Related]

  • 19. Chalcogenide-halides of niobium (V). 1. Gas-phase structures of NbOBr(3), NbSBr(3), and NbSCl(3). 2. Matrix infrared spectra and vibrational force fields of NbOBr(3), NbSBr(3), NbSCl(3), and NbOCl(3).
    Nowak I, Page EM, Rice DA, Richardson AD, French RJ, Hedberg K, Ogden JS.
    Inorg Chem; 2003 Feb 24; 42(4):1296-305. PubMed ID: 12588168
    [Abstract] [Full Text] [Related]

  • 20. Structure and conformational properties of N-pentafluorosulfur(sulfuroxide difluoride imide) SF5N=S(O)F2: vibrational analysis, gas electron diffraction, and quantum chemical calculations.
    Alvarez RM, Cutin EH, Mews R, Oberhammer H.
    J Phys Chem A; 2007 Mar 22; 111(11):2243-7. PubMed ID: 17388270
    [Abstract] [Full Text] [Related]

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