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319 related items for PubMed ID: 27098594

  • 1. Good Computational Practice in the Assignment of Absolute Configurations by TDDFT Calculations of ECD Spectra.
    Pescitelli G, Bruhn T.
    Chirality; 2016 Jun; 28(6):466-74. PubMed ID: 27098594
    [Abstract] [Full Text] [Related]

  • 2. Absolute Configuration Determination by Quantum Mechanical Calculation of Chiroptical Spectra: Basics and Applications to Fungal Metabolites.
    Superchi S, Scafato P, Gorecki M, Pescitelli G.
    Curr Med Chem; 2018 Jun; 25(2):287-320. PubMed ID: 28294053
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  • 3. 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 27; 72(9):3521-36. PubMed ID: 17388636
    [Abstract] [Full Text] [Related]

  • 4. Absolute configurations of phytotoxins seiricardine A and inuloxin A obtained by chiroptical studies.
    Santoro E, Mazzeo G, Petrovic AG, Cimmino A, Koshoubu J, Evidente A, Berova N, Superchi S.
    Phytochemistry; 2015 Aug 27; 116():359-366. PubMed ID: 25817835
    [Abstract] [Full Text] [Related]

  • 5. Study on the absolute configuration of levetiracetam via density functional theory calculations of electronic circular dichroism and optical rotatory dispersion.
    Li L, Si YK.
    J Pharm Biomed Anal; 2011 Nov 01; 56(3):465-70. PubMed ID: 21794998
    [Abstract] [Full Text] [Related]

  • 6. Determination of the absolute configurations of natural products via density functional theory calculations of optical rotation, electronic circular dichroism, and vibrational circular dichroism: the cytotoxic sesquiterpene natural products quadrone, suberosenone, suberosanone, and suberosenol A acetate.
    Stephens PJ, McCann DM, Devlin FJ, Smith AB.
    J Nat Prod; 2006 Jul 01; 69(7):1055-64. PubMed ID: 16872144
    [Abstract] [Full Text] [Related]

  • 7. Assignment of absolute stereostructures through quantum mechanics electronic and vibrational circular dichroism calculations.
    Dai P, Jiang N, Tan RX.
    J Asian Nat Prod Res; 2016 Jul 01; 18(1):72-91. PubMed ID: 26880597
    [Abstract] [Full Text] [Related]

  • 8. The online assignment of the absolute configuration of natural products: HPLC-CD in combination with quantum chemical CD calculations.
    Bringmann G, Gulder TA, Reichert M, Gulder T.
    Chirality; 2008 May 15; 20(5):628-42. PubMed ID: 18383126
    [Abstract] [Full Text] [Related]

  • 9. Study on the absolute configurations of 3-alkylphthalides using TDDFT calculations of chiroptical properties.
    Li L, Si YK.
    Chirality; 2012 Dec 15; 24(12):987-93. PubMed ID: 22806984
    [Abstract] [Full Text] [Related]

  • 10. Revised Absolute Configuration of Sibiricumin A: Substituent Effects in Simplified Model Structures Used for Quantum Mechanical Predictions of Chiroptical Properties.
    Zhao D, Li ZQ, Cao F, Liang MM, Pittman CU, Zhu HJ, Li L, Yu SS.
    Chirality; 2016 Aug 15; 28(8):612-7. PubMed ID: 27428019
    [Abstract] [Full Text] [Related]

  • 11. Absolute configurations of spiroiminodihydantoin and allantoin stereoisomers: comparison of computed and measured electronic circular dichroism spectra.
    Ding S, Jia L, Durandin A, Crean C, Kolbanovskiy A, Shafirovich V, Broyde S, Geacintov NE.
    Chem Res Toxicol; 2009 Jun 15; 22(6):1189-93. PubMed ID: 19485408
    [Abstract] [Full Text] [Related]

  • 12. Circular dichroism calculation for natural products.
    Nugroho AE, Morita H.
    J Nat Med; 2014 Jan 15; 68(1):1-10. PubMed ID: 23564068
    [Abstract] [Full Text] [Related]

  • 13. How and How Much Molecular Conformation Affects Electronic Circular Dichroism: The Case of 1,1-Diarylcarbinols.
    Padula D, Pescitelli G.
    Molecules; 2018 Jan 09; 23(1):. PubMed ID: 29315220
    [Abstract] [Full Text] [Related]

  • 14. Chiroptical properties of ajugol investigated by quantum chemical calculation using time-dependent density functional theory.
    Li L, Liu YF, Si YK, Yu DQ.
    J Asian Nat Prod Res; 2013 Jan 09; 15(6):670-9. PubMed ID: 23777271
    [Abstract] [Full Text] [Related]

  • 15. Enantiomeric 4-Acylamino-6-alkyloxy-2 Alkylthiopyrimidines As Potential A3 Adenosine Receptor Antagonists: HPLC Chiral Resolution and Absolute Configuration Assignment by a Full Set of Chiroptical Spectroscopy.
    Rossi D, Nasti R, Marra A, Meneghini S, Mazzeo G, Longhi G, Memo M, Cosimelli B, Greco G, Novellino E, Da Settimo F, Martini C, Taliani S, Abbate S, Collina S.
    Chirality; 2016 May 09; 28(5):434-40. PubMed ID: 27095007
    [Abstract] [Full Text] [Related]

  • 16. Determining the absolute configuration of two marine compounds using vibrational chiroptical spectroscopy.
    Hopmann KH, Šebestík J, Novotná J, Stensen W, Urbanová M, Svenson J, Svendsen JS, Bouř P, Ruud K.
    J Org Chem; 2012 Jan 20; 77(2):858-69. PubMed ID: 22148737
    [Abstract] [Full Text] [Related]

  • 17. TDDFT studies on electronic structures, chiroptical properties and solvent effect on the CD spectra of diphosphonate-functionalized polyoxomolybdates.
    Sang YM, Yan LK, Wang JP, Ma NN, Su ZM.
    J Mol Graph Model; 2013 Jul 20; 44():26-32. PubMed ID: 23732303
    [Abstract] [Full Text] [Related]

  • 18. Glucopyranosylidene-Spiro-Thiazolinones: Synthetic Studies and Determination of Absolute Configuration by TDDFT-ECD Calculations.
    Szabó KE, Kun S, Mándi A, Kurtán T, Somsák L.
    Molecules; 2017 Oct 19; 22(10):. PubMed ID: 29048398
    [Abstract] [Full Text] [Related]

  • 19. Determination of Absolute Configuration of Natural Products: Theoretical Calculation of Electronic Circular Dichroism as a Tool.
    Li XC, Ferreira D, Ding Y.
    Curr Org Chem; 2010 Oct 01; 14(16):1678-1697. PubMed ID: 24729741
    [Abstract] [Full Text] [Related]

  • 20. Structure-chiroptical properties relationship of carbapenams by experiment and theory.
    Woźnica M, Masnyk M, Stecko S, Mames A, Furman B, Chmielewski M, Frelek J.
    J Org Chem; 2010 Nov 05; 75(21):7219-26. PubMed ID: 20873777
    [Abstract] [Full Text] [Related]

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