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 *

192 related articles for article (PubMed ID: 15747317)

  • 21. Time dependent density functional theory calculations for electronic circular dichroism spectra and optical rotations of conformationally flexible chiral donor-acceptor dyad.
    Mori T; Inoue Y; Grimme S
    J Org Chem; 2006 Dec; 71(26):9797-806. PubMed ID: 17168599
    [TBL] [Abstract][Full Text] [Related]  

  • 22. Absolute configuration of conformationally flexible cis-dihydrodiol metabolites by the method of confrontation of experimental and calculated electronic CD spectra and optical rotations.
    Kwit M; Sharma ND; Boyd DR; Gawronski J
    Chemistry; 2007; 13(20):5812-21. PubMed ID: 17397025
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Optical rotation calculation of a highly flexible molecule: the case of paraconic acid.
    Marchesan D; Coriani S; Forzato C; Nitti P; Pitacco G; Ruud K
    J Phys Chem A; 2005 Feb; 109(7):1449-53. PubMed ID: 16833463
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Ab initio determination of optical rotatory dispersion in the conformationally flexible molecule (R)-epichlorohydrin.
    Tam MC; Crawford TD
    J Phys Chem A; 2006 Feb; 110(6):2290-8. PubMed ID: 16466267
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Ab initio calculations of nonlinear optical rotation by several small chiral molecules and by uridine stereoisomers.
    Qu W; Tabisz GC
    J Chem Phys; 2006 May; 124(18):184305. PubMed ID: 16709104
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Determination of the absolute configuration of flexible molecules by ab initio ORD calculations: a case study with cytoxazones and isocytoxazones.
    Giorgio E; Roje M; Tanaka K; Hamersak Z; Sunjic V; Nakanishi K; Rosini C; Berova N
    J Org Chem; 2005 Aug; 70(17):6557-63. PubMed ID: 16095271
    [TBL] [Abstract][Full Text] [Related]  

  • 27. A chemical/computational approach to the determination of absolute configuration of flexible and transparent molecules: aliphatic diols as a case study.
    Tartaglia S; Padula D; Scafato P; Chiummiento L; Rosini C
    J Org Chem; 2008 Jul; 73(13):4865-73. PubMed ID: 18547112
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Determination of the absolute configurations of natural products via density functional theory calculations of vibrational circular dichroism, electronic circular dichroism, and optical rotation: the iso-schizozygane alkaloids isoschizogaline and isoschizogamine.
    Stephens PJ; Pan JJ; Devlin FJ; Urbanová M; Julínek O; Hájícek J
    Chirality; 2008 Mar; 20(3-4):454-70. PubMed ID: 17853399
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Two-photon absorption cross sections: an investigation of the accuracy of calculated absolute and relative values.
    Nielsen CB; Rettrup S; Sauer SP
    J Chem Phys; 2006 Mar; 124(11):114108. PubMed ID: 16555875
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Determination of the absolute configurations of natural products via density functional theory calculations of vibrational circular dichroism, electronic circular dichroism and optical rotation: the schizozygane alkaloid schizozygine.
    Stephens PJ; Pan JJ; Devlin FJ; Urbanová M; Hájícek J
    J Org Chem; 2007 Mar; 72(7):2508-24. PubMed ID: 17338574
    [TBL] [Abstract][Full Text] [Related]  

  • 31. Assignment of the absolute configuration of [n]-ladderanes by TD-DFT optical rotation calculations.
    Zuber G; Goldsmith MR; Beratan DN; Wipf P
    Chirality; 2005 Oct; 17(8):507-10. PubMed ID: 16121333
    [TBL] [Abstract][Full Text] [Related]  

  • 32. Determination of the absolute configurations of natural products via density functional theory calculations of vibrational circular dichroism, electronic circular dichroism, and optical rotation: the iridoids plumericin and isoplumericin.
    Stephens PJ; Pan JJ; Devlin FJ; Krohn K; Kurtán T
    J Org Chem; 2007 Apr; 72(9):3521-36. PubMed ID: 17388636
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Ab initio calculation of optical rotation in (P)-(+)-[4]triangulane.
    Crawford TD; Owens LS; Tam MC; Schreiner PR; Koch H
    J Am Chem Soc; 2005 Feb; 127(5):1368-9. PubMed ID: 15686357
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Conformational stability of cyclobutanol from temperature dependent infrared spectra of xenon solutions, r0 structural parameters, ab initio calculations and vibrational assignment.
    Durig JR; Ganguly A; El Defrawy AM; Gounev TK; Guirgis GA
    Spectrochim Acta A Mol Biomol Spectrosc; 2008 Dec; 71(4):1379-89. PubMed ID: 18602334
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Absolute configurations of chiral herbicides determined from vibrational circular dichroism.
    He J; Wang F; Polavarapu PL
    Chirality; 2005; 17 Suppl():S1-8. PubMed ID: 15612041
    [TBL] [Abstract][Full Text] [Related]  

  • 36. A density functional theory study of the structure and vibrational spectra of beta-carotene, capsanthin, and capsorubin.
    Requena A; Cerón-Carrasco JP; Bastida A; Zúñiga J; Miguel B
    J Phys Chem A; 2008 May; 112(21):4815-25. PubMed ID: 18461911
    [TBL] [Abstract][Full Text] [Related]  

  • 37. Synthesis, chiroptical properties, and their theoretical simulation of some highly rotating benzotricamphor derivatives.
    Mazzeo G; Giorgio E; Rosini C; Fabris F; Fregonese E; Toniolo U; De Lucchi O
    Chirality; 2009; 21 Suppl 1():E86-97. PubMed ID: 19725094
    [TBL] [Abstract][Full Text] [Related]  

  • 38. Model studies of the optical rotation, and theoretical determination of its sign for beta-pinene and trans-pinane.
    Baranowska A; Łaczkowski KZ; Sadlej AJ
    J Comput Chem; 2010 Apr; 31(6):1176-81. PubMed ID: 19777492
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Conformational rigidification via derivatization facilitates the determination of absolute configuration using chiroptical spectroscopy: a case study of the chiral alcohol endo-borneol.
    Devlin FJ; Stephens PJ; Besse P
    J Org Chem; 2005 Apr; 70(8):2980-93. PubMed ID: 15822957
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Calculation of conformational energies and optical rotation of the most simple chiral alkane.
    Grimme S; Mück-Lichtenfeld C
    Chirality; 2008 Sep; 20(9):1009-15. PubMed ID: 18335485
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 10.