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275 related items for PubMed ID: 16599691

  • 1. Structural and vibrational properties of solid nitromethane under high pressure by density functional theory.
    Liu H, Zhao J, Wei D, Gong Z.
    J Chem Phys; 2006 Mar 28; 124(12):124501. PubMed ID: 16599691
    [Abstract] [Full Text] [Related]

  • 2. A DFT study on structural, vibrational properties, and quasiparticle band structure of solid nitromethane.
    Appalakondaiah S, Vaitheeswaran G, Lebègue S.
    J Chem Phys; 2013 May 14; 138(18):184705. PubMed ID: 23676062
    [Abstract] [Full Text] [Related]

  • 3. Structural, electronic, and dynamical properties of methane under high pressure.
    Lin H, Li YL, Zeng Z, Chen XJ, Lin HQ.
    J Chem Phys; 2011 Feb 14; 134(6):064515. PubMed ID: 21322713
    [Abstract] [Full Text] [Related]

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  • 5. Density functional theory calculations of pressure effects on the vibrational structure of alpha-RDX.
    Miao MS, Dreger ZA, Winey JM, Gupta YM.
    J Phys Chem A; 2008 Nov 27; 112(47):12228-34. PubMed ID: 18973322
    [Abstract] [Full Text] [Related]

  • 6. Molecular based equation of state for shocked liquid nitromethane.
    Desbiens N, Bourasseau E, Maillet JB, Soulard L.
    J Hazard Mater; 2009 Jul 30; 166(2-3):1120-6. PubMed ID: 19217711
    [Abstract] [Full Text] [Related]

  • 7. Symmetry properties of vibrational modes in mesoporphyrin IX dimethyl ester investigated by polarization-sensitive resonance Raman and CARS spectroscopy.
    Koster J, Popp J, Kiefer W, Schlücker S.
    J Phys Chem A; 2006 Oct 05; 110(39):11252-9. PubMed ID: 17004734
    [Abstract] [Full Text] [Related]

  • 8. High-pressure study of lithium azide from density-functional calculations.
    Babu KR, Lingam ChB, Tewari SP, Vaitheeswaran G.
    J Phys Chem A; 2011 May 05; 115(17):4521-9. PubMed ID: 21486056
    [Abstract] [Full Text] [Related]

  • 9. Properties of diamond under hydrostatic pressures up to 140 GPa.
    Occelli F, Loubeyre P, LeToullec R.
    Nat Mater; 2003 Mar 05; 2(3):151-4. PubMed ID: 12612670
    [Abstract] [Full Text] [Related]

  • 10. Guanine crystals: a first principles study.
    Ortmann F, Hannewald K, Bechstedt F.
    J Phys Chem B; 2008 Feb 07; 112(5):1540-8. PubMed ID: 18197657
    [Abstract] [Full Text] [Related]

  • 11. First-principles calculations of the adsorption of nitromethane and 1,1-diamino-2,2-dinitroethylene (FOX-7) molecules on the alpha-Al2O3(0001) surface.
    Sorescu DC, Boatz JA, Thompson DL.
    J Phys Chem B; 2005 Feb 03; 109(4):1451-63. PubMed ID: 16851116
    [Abstract] [Full Text] [Related]

  • 12. Usefulness of one electron properties in the study of the nitromethane-to-methyl nitrite rearrangement.
    Roszak S, Lowrey AH, Sokalski WA, Kaufman JJ.
    J Mol Graph; 1994 Sep 03; 12(3):207-11, 197. PubMed ID: 7819161
    [Abstract] [Full Text] [Related]

  • 13. Electron interaction with nitromethane embedded in helium droplets: attachment and ionization measurements.
    Ferreira da Silva F, Ptasińska S, Denifl S, Gschliesser D, Postler J, Matias C, Märk TD, Limão-Vieira P, Scheier P.
    J Chem Phys; 2011 Nov 07; 135(17):174504. PubMed ID: 22070303
    [Abstract] [Full Text] [Related]

  • 14. Kinetic insights into the role of the solvent in the polymorphism of 5-fluorouracil from molecular dynamics simulations.
    Hamad S, Moon C, Catlow CR, Hulme AT, Price SL.
    J Phys Chem B; 2006 Feb 23; 110(7):3323-9. PubMed ID: 16494346
    [Abstract] [Full Text] [Related]

  • 15. A comparison of complexation of Li+ ion with macrocyclic ligands 15-crown-5 and 12-crown-4 in binary nitromethane-acetonitrile mixtures by using lithium-7 NMR technique and ab initio calculation.
    Alizadeh N.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Jan 23; 78(1):488-93. PubMed ID: 21146449
    [Abstract] [Full Text] [Related]

  • 16. Electrochemical enol ether/olefin cross-metathesis in a lithium perchlorate/nitromethane electrolyte solution.
    Miura T, Kim S, Kitano Y, Tada M, Chiba K.
    Angew Chem Int Ed Engl; 2006 Feb 20; 45(9):1461-3. PubMed ID: 16440381
    [No Abstract] [Full Text] [Related]

  • 17. Myoglobin as an efficient electrocatalyst for nitromethane reduction.
    Boutros J, Bayachou M.
    Inorg Chem; 2004 Jun 28; 43(13):3847-53. PubMed ID: 15206865
    [Abstract] [Full Text] [Related]

  • 18. Detection and determination of the {Fe(NO)(2)} core vibrational features in dinitrosyl-iron complexes from experiment, normal coordinate analysis, and density functional theory: an avenue for probing the nitric oxide oxidation state.
    Dai RJ, Ke SC.
    J Phys Chem B; 2007 Mar 08; 111(9):2335-46. PubMed ID: 17295535
    [Abstract] [Full Text] [Related]

  • 19. Molecular dynamics simulations of shock waves in oriented nitromethane single crystals: plane-specific effects.
    He L, Sewell TD, Thompson DL.
    J Chem Phys; 2012 Jan 21; 136(3):034501. PubMed ID: 22280762
    [Abstract] [Full Text] [Related]

  • 20. Highly enantioselective organocatalytic conjugate addition of nitromethane to benzylidene acetones.
    Szántó G, Bombicz P, Grün A, Kádas I.
    Chirality; 2008 Nov 21; 20(10):1120-6. PubMed ID: 18506836
    [Abstract] [Full Text] [Related]

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