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Journal Abstract Search

662 related items for PubMed ID: 18085760

  • 1. An ab initio and density functional theory study of the structure and bonding of sulfur ylides.
    Standard JM, Copack BA, Johnson TK, Przybyla DE, Graham SR, Steidl RJ.
    J Phys Chem A; 2008 Jan 17; 112(2):336-41. PubMed ID: 18085760
    [Abstract] [Full Text] [Related]

  • 2. A new look at the ylidic bond in phosphorus ylides and related compounds: energy decomposition analysis combined with a domain-averaged fermi hole analysis.
    Calhorda MJ, Krapp A, Frenking G.
    J Phys Chem A; 2007 Apr 19; 111(15):2859-69. PubMed ID: 17388399
    [Abstract] [Full Text] [Related]

  • 3. Electronic state of push-pull alkenes: an experimental dynamic NMR and theoretical ab initio MO study.
    Kleinpeter E, Klod S, Rudorf WD.
    J Org Chem; 2004 Jun 25; 69(13):4317-29. PubMed ID: 15202885
    [Abstract] [Full Text] [Related]

  • 4. Experimental and computational study of the bonding properties of mixed bis-ylides of phosphorus and sulfur.
    Serrano E, Navarro R, Soler T, Carbó JJ, Lledós A, Urriolabeitia EP.
    Inorg Chem; 2009 Jul 20; 48(14):6823-34. PubMed ID: 19534517
    [Abstract] [Full Text] [Related]

  • 5. N, P, and As ylides and aza- and arsa-Wittig reactions from topological analyses of electron density.
    Sánchez-González Á, Melchor S, Dobado JA, Silvi B, Andrés J.
    J Phys Chem A; 2011 Jul 28; 115(29):8316-26. PubMed ID: 21736317
    [Abstract] [Full Text] [Related]

  • 6. Theoretical study of the electronic structure of CnS (n=1-6) thiocumulenes.
    Pérez-Juste I, Graña AM, Carballeira L, Mosquera RA.
    J Chem Phys; 2004 Dec 01; 121(21):10447-55. PubMed ID: 15549925
    [Abstract] [Full Text] [Related]

  • 7. Lone-pair orbital interactions in polythiaadamantanes.
    Norton JE, Briseno AL, Wudl F, Houk KN.
    J Phys Chem A; 2006 Aug 17; 110(32):9887-99. PubMed ID: 16898691
    [Abstract] [Full Text] [Related]

  • 8. Study of the nature of improper blue-shifting hydrogen bonding and standard hydrogen bonding in the X3CH...OH2 and XH...OH2 complexes (X = F, Cl, Br, I): A correlated Ab initio study.
    Zierkiewicz W, Michalska D, Havlas Z, Hobza P.
    Chemphyschem; 2002 Jun 17; 3(6):511-8. PubMed ID: 12465490
    [Abstract] [Full Text] [Related]

  • 9. O-H...O versus O-H...S hydrogen bonding. 3. IR-UV double resonance study of hydrogen bonded complexes of p-cresol with diethyl ether and its sulfur analog.
    Biswal HS, Wategaonkar S.
    J Phys Chem A; 2010 May 20; 114(19):5947-57. PubMed ID: 20415507
    [Abstract] [Full Text] [Related]

  • 10. Accounting for the differences in the structures and relative energies of the highly homoatomic np pi-np pi (n > or = 3)-bonded S2I4 2+, the Se-I pi-bonded Se2I4 2+, and their higher-energy isomers by AIM, MO, NBO, and VB methodologies.
    Brownridge S, Crawford MJ, Du H, Harcourt RD, Knapp C, Laitinen RS, Passmore J, Rautiainen JM, Suontamo RJ, Valkonen J.
    Inorg Chem; 2007 Feb 05; 46(3):681-99. PubMed ID: 17257010
    [Abstract] [Full Text] [Related]

  • 11. A DFT and ab initio benchmarking study of metal-alkane interactions and the activation of carbon-hydrogen bonds.
    Flener-Lovitt C, Woon DE, Dunning TH, Girolami GS.
    J Phys Chem A; 2010 Feb 04; 114(4):1843-51. PubMed ID: 20043689
    [Abstract] [Full Text] [Related]

  • 12. Two-way effects between hydrogen bond and intramolecular resonance effect: an ab initio study on complexes of formamide and its derivatives with water.
    Liu T, Li H, Huang MB, Duan Y, Wang ZX.
    J Phys Chem A; 2008 Jun 19; 112(24):5436-47. PubMed ID: 18503289
    [Abstract] [Full Text] [Related]

  • 13. Estimates of the ab initio limit for sulfur-pi interactions: the H2S-benzene dimer.
    Tauer TP, Derrick ME, Sherrill CD.
    J Phys Chem A; 2005 Jan 13; 109(1):191-6. PubMed ID: 16839105
    [Abstract] [Full Text] [Related]

  • 14. A short yet very weak dative bond: structure, bonding, and energetic properties of N(2)-BH(3).
    Smith EL, Sadowsky D, Phillips JA, Cramer CJ, Giesen DJ.
    J Phys Chem A; 2010 Feb 25; 114(7):2628-36. PubMed ID: 20121205
    [Abstract] [Full Text] [Related]

  • 15. The structure and chemical bonding in the N(2)-CuX and N(2)...XCu (X = F, Cl, Br) systems studied by means of the molecular orbital and Quantum Chemical Topology methods.
    Kisowska K, Berski S, Latajka Z.
    J Comput Chem; 2008 Dec 25; 29(16):2677-92. PubMed ID: 18484638
    [Abstract] [Full Text] [Related]

  • 16. Approaching the gas-phase structures of [AgS8]+ and [AgS16]+ in the solid state.
    Cameron TS, Decken A, Dionne I, Fang M, Krossing I, Passmore J.
    Chemistry; 2002 Aug 02; 8(15):3386-401. PubMed ID: 12203319
    [Abstract] [Full Text] [Related]

  • 17. Theoretical investigation of carbon-sulfur triple bonds.
    Denis PA, Iribarne F.
    Chemistry; 2011 Feb 07; 17(6):1979-87. PubMed ID: 21274950
    [Abstract] [Full Text] [Related]

  • 18. Ab initio study of the interactions between CO(2) and N-containing organic heterocycles.
    Vogiatzis KD, Mavrandonakis A, Klopper W, Froudakis GE.
    Chemphyschem; 2009 Feb 02; 10(2):374-83. PubMed ID: 19137564
    [Abstract] [Full Text] [Related]

  • 19. Theoretical and experimental sulfur K-edge X-ray absorption spectroscopic study of cysteine, cystine, homocysteine, penicillamine, methionine and methionine sulfoxide.
    Risberg ED, Jalilehvand F, Leung BO, Pettersson LG, Sandström M.
    Dalton Trans; 2009 May 14; (18):3542-58. PubMed ID: 19381417
    [Abstract] [Full Text] [Related]

  • 20. Dynamic behavior of chiral sulfonimidoyl-substituted allyl and alkyl (dimethylamino)titanium(IV) complexes: metallotropic shift, reversible beta-hydride elimination/reinsertion, and ab initio calculations of allyl and alkyl aminosulfoxonium ylides.
    Gais HJ, Bruns PR, Raabe G, Hainz R, Schleusner M, Runsink J, Babu GS.
    J Am Chem Soc; 2005 May 11; 127(18):6617-31. PubMed ID: 15869283
    [Abstract] [Full Text] [Related]

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