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 *

118 related articles for article (PubMed ID: 15686357)

  • 1. 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]  

  • 2. The current state of ab initio calculations of optical rotation and electronic circular dichroism spectra.
    Crawford TD; Tam MC; Abrams ML
    J Phys Chem A; 2007 Dec; 111(48):12057-68. PubMed ID: 17985851
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Ab initio calculation of optical rotatory dispersion (ORD) curves: a simple and reliable approach to the assignment of the molecular absolute configuration.
    Giorgio E; Viglione RG; Zanasi R; Rosini C
    J Am Chem Soc; 2004 Oct; 126(40):12968-76. PubMed ID: 15469294
    [TBL] [Abstract][Full Text] [Related]  

  • 4. 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]  

  • 5. Determination of absolute configuration using concerted ab Initio DFT calculations of electronic circular dichroism and optical rotation: bicyclo[3.3.1]nonane diones.
    Stephens PJ; McCann DM; Butkus E; Stoncius S; Cheeseman JR; Frisch MJ
    J Org Chem; 2004 Mar; 69(6):1948-58. PubMed ID: 15058939
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Determination of absolute configurations of chiral molecules using ab initio time-dependent Density Functional Theory calculations of optical rotation: how reliable are absolute configurations obtained for molecules with small rotations?
    Stephens PJ; McCann DM; Cheeseman JR; Frisch MJ
    Chirality; 2005; 17 Suppl():S52-64. PubMed ID: 15747317
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Time-dependent density functional calculations of optical rotatory dispersion including resonance wavelengths as a potentially useful tool for determining absolute configurations of chiral molecules.
    Autschbach J; Jensen L; Schatz GC; Tse YC; Krykunov M
    J Phys Chem A; 2006 Feb; 110(7):2461-73. PubMed ID: 16480306
    [TBL] [Abstract][Full Text] [Related]  

  • 8. The determination of the absolute configurations of chiral molecules using vibrational circular dichroism (VCD) spectroscopy.
    Stephens PJ; Devlin FJ; Pan JJ
    Chirality; 2008 May; 20(5):643-63. PubMed ID: 17955495
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Comparison of time-dependent density-functional theory and coupled cluster theory for the calculation of the optical rotations of chiral molecules.
    Crawford TD; Stephens PJ
    J Phys Chem A; 2008 Feb; 112(6):1339-45. PubMed ID: 18198852
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Ab initio study of the magneto-optical rotation of diastereoisomers.
    Kula M; Cappelli C; Coriani S; Rizzo A
    Chemphyschem; 2008 Feb; 9(3):462-9. PubMed ID: 18224634
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Calculation of circular dichroism spectra from optical rotatory dispersion, and vice versa, as complementary tools for theoretical studies of optical activity using time-dependent density functional theory.
    Krykunov M; Kundrat MD; Autschbach J
    J Chem Phys; 2006 Nov; 125(19):194110. PubMed ID: 17129092
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Syntheses and properties of enantiomerically pure higher (n > or = 7) [n-2]triangulanedimethanols and sigma-[n]helicenes.
    de Meijere A; Khlebnikov AF; Kozhushkov SI; Yufit DS; Chetina OV; Howard JA; Kurahashi T; Miyazawa K; Frank D; Schreiner PR; Rinderspacher BC; Fujisawa M; Yamamoto C; Okamoto Y
    Chemistry; 2006 Jul; 12(22):5697-721. PubMed ID: 16729341
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Determination of absolute configuration using density functional theory calculation of optical rotation: chiral alkanes.
    McCann DM; Stephens PJ; Cheeseman JR
    J Org Chem; 2004 Dec; 69(25):8709-17. PubMed ID: 15575747
    [TBL] [Abstract][Full Text] [Related]  

  • 14. 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]  

  • 15. 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]  

  • 16. Calculation of the birefringences of nematic liquid crystals at optical and infrared wavelengths.
    Simpson SH; Richardson RM; Hanna S
    J Chem Phys; 2005 Oct; 123(13):134904. PubMed ID: 16223328
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Synthetic and model computational studies of molar rotation additivity for interacting chiral centers: a reinvestigation of van't Hoff's principle.
    Kondru RK; Lim S; Wipf P; Beratan DN
    Chirality; 1997; 9(5-6):469-77. PubMed ID: 9329177
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Determination of absolute configuration using density functional theory calculations of optical rotation and electronic circular dichroism: chiral alkenes.
    McCann DM; Stephens PJ
    J Org Chem; 2006 Aug; 71(16):6074-98. PubMed ID: 16872191
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Coupled cluster and density functional theory studies of the vibrational contribution to the optical rotation of (S)-propylene oxide.
    Kongsted J; Pedersen TB; Jensen L; Hansen AE; Mikkelsen KV
    J Am Chem Soc; 2006 Jan; 128(3):976-82. PubMed ID: 16417389
    [TBL] [Abstract][Full Text] [Related]  

  • 20. 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]  

    [Next]    [New Search]
    of 6.