These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.


BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

119 related articles for article (PubMed ID: 19645487)

  • 1. Experimental equilibrium structures: application of molecular dynamics simulations to vibrational corrections for gas electron diffraction.
    Wann DA; Zakharov AV; Reilly AM; McCaffrey PD; Rankin DW
    J Phys Chem A; 2009 Aug; 113(34):9511-20. PubMed ID: 19645487
    [TBL] [Abstract][Full Text] [Related]  

  • 2. The gas-phase equilibrium structures of Si8O12(OSiMe3)8 and Si8O12(CHCH2)8.
    Wann DA; Dickson CN; Lickiss PD; Robertson HE; Rankin DW
    Inorg Chem; 2011 Apr; 50(7):2988-94. PubMed ID: 21384904
    [TBL] [Abstract][Full Text] [Related]  

  • 3. 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; 112(33):7662-70. PubMed ID: 18665577
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Accurate equilibrium structures obtained from gas-phase electron diffraction data: sodium chloride.
    McCaffrey PD; Mawhorter RJ; Turner AR; Brain PT; Rankin DW
    J Phys Chem A; 2007 Jul; 111(27):6103-14. PubMed ID: 17579381
    [TBL] [Abstract][Full Text] [Related]  

  • 5. 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; 111(28):6434-42. PubMed ID: 17595068
    [TBL] [Abstract][Full Text] [Related]  

  • 6. 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; 113(49):13816-23. PubMed ID: 19863126
    [TBL] [Abstract][Full Text] [Related]  

  • 7. A structure-based analysis of the vibrational spectra of nitrosyl ligands in transition-metal coordination complexes and clusters.
    De La Cruz C; Sheppard N
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Jan; 78(1):7-28. PubMed ID: 21123107
    [TBL] [Abstract][Full Text] [Related]  

  • 8. 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; 112(22):5002-9. PubMed ID: 18461918
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Structures of molecules in ground and excited vibrational states from quasiclassical direct ab initio molecular dynamics.
    Yamada T; Aida M
    J Phys Chem A; 2010 Jun; 114(21):6273-83. PubMed ID: 20455585
    [TBL] [Abstract][Full Text] [Related]  

  • 10. The effect of molecular dynamics sampling on the calculated observable gas-phase structures.
    Tikhonov DS; Otlyotov AA; Rybkin VV
    Phys Chem Chem Phys; 2016 Jul; 18(27):18237-45. PubMed ID: 27331660
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Equilibrium gas-phase structures of sodium fluoride, bromide, and iodide monomers and dimers.
    Wann DA; Rankin DW; McCaffrey PD; Martin JM; Mawhorter RJ
    J Phys Chem A; 2014 Mar; 118(10):1927-35. PubMed ID: 24552540
    [TBL] [Abstract][Full Text] [Related]  

  • 12. 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; 111(47):12011-8. PubMed ID: 17979258
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Application of classical simulations for the computation of vibrational properties of free molecules.
    Tikhonov DS; Sharapa DI; Schwabedissen J; Rybkin VV
    Phys Chem Chem Phys; 2016 Oct; 18(40):28325-28338. PubMed ID: 27722605
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Flexibility of the saturated five-membered ring in 2,5-pyrrolidinedione (succinimide): electron diffraction and quantum-chemical studies with use of vibrational spectroscopy data.
    Vogt N; Khaikin LS; Grikina OE; Karasev NM; Vogt J; Vilkov LV
    J Phys Chem A; 2009 Feb; 113(5):931-7. PubMed ID: 19123844
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Determination of the experimental equilibrium structure of solid nitromethane using path-integral molecular dynamics simulations.
    Reilly AM; Habershon S; Morrison CA; Rankin DW
    J Chem Phys; 2010 Mar; 132(9):094502. PubMed ID: 20210400
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Coupled-cluster calculations of C(2)H(2)Si and CNHSi structural isomers.
    Thorwirth S; Harding ME
    J Chem Phys; 2009 Jun; 130(21):214303. PubMed ID: 19508065
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Anharmonic rovibrational analysis for disilacyclopropenylidene (Si2CH2).
    Lu T; Wilke JJ; Yamaguchi Y; Schaefer HF
    J Chem Phys; 2011 Apr; 134(16):164101. PubMed ID: 21528944
    [TBL] [Abstract][Full Text] [Related]  

  • 18. 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; 112(38):9075-82. PubMed ID: 18754601
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Computational vibrational spectroscopy of peptides and proteins in one and two dimensions.
    Jeon J; Yang S; Choi JH; Cho M
    Acc Chem Res; 2009 Sep; 42(9):1280-9. PubMed ID: 19456096
    [TBL] [Abstract][Full Text] [Related]  

  • 20. 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; 110(38):11136-44. PubMed ID: 16986848
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 6.