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 *

108 related articles for article (PubMed ID: 30882219)

  • 1. The Role of Substituents in Optical Rotation of Oxiranes, Oxetanes, and Oxathietanes.
    Baranowska-Łączkowska A; Łączkowski KZ; Fernández B
    J Chem Inf Model; 2019 May; 59(5):2103-2109. PubMed ID: 30882219
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Systematic Analysis of the Role of Substituents in Oxiranes, Oxetanes, and Oxathietanes Chemical Shifts.
    Baranowska-Łączkowska A; Łączkowski KZ; Banaszak-Piechowska A; Fernández B
    J Phys Chem A; 2021 Mar; 125(10):2077-2087. PubMed ID: 33661627
    [TBL] [Abstract][Full Text] [Related]  

  • 3. The ORP basis set designed for optical rotation calculations.
    Baranowska-Łączkowska A; Łączkowski KZ
    J Comput Chem; 2013 Sep; 34(23):2006-13. PubMed ID: 23737043
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Optical rotation calculated with time-dependent density functional theory: the OR45 benchmark.
    Srebro M; Govind N; de Jong WA; Autschbach J
    J Phys Chem A; 2011 Oct; 115(40):10930-49. PubMed ID: 21827151
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Finding reliable methodology for optical rotation and correct predictions of (s)-methyloxirane and (1R,5R)-β-pinene.
    de Albuquerque Barros G; Henrique Morgon N
    Chirality; 2022 Sep; 34(9):1197-1208. PubMed ID: 35670135
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Optical Rotation from Coupled Cluster and Density Functional Theory: The Role of Basis Set Convergence.
    Haghdani S; Åstrand PO; Koch H
    J Chem Theory Comput; 2016 Feb; 12(2):535-48. PubMed ID: 26672621
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Compact Basis Sets for Optical Rotation Calculations.
    Aharon T; Caricato M
    J Chem Theory Comput; 2020 Jul; 16(7):4408-4415. PubMed ID: 32525666
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Effect of substituents and conformations on the optical rotations of cyclic oxides and related compounds. relationship between the anomeric effect and optical rotation.
    Wiberg KB; Wilson SM; Wang YG; Vaccaro PH; Cheeseman JR; Luderer MR
    J Org Chem; 2007 Aug; 72(16):6206-14. PubMed ID: 17628107
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Estimation of optical rotation of γ-alkylidenebutenolide, cyclopropylamine, cyclopropyl-methanol and cyclopropenone based compounds by a Density Functional Theory (DFT) approach.
    Shahzadi I; Shaukat A; Zara Z; Irfan M; Eliasson B; Ayub K; Iqbal J
    Chirality; 2017 Oct; 29(10):634-647. PubMed ID: 28810058
    [TBL] [Abstract][Full Text] [Related]  

  • 10. A Density Functional Theory Study of Optical Rotation in Some Aziridine and Oxirane Derivatives.
    Galeano Carrano RS; Provasi PF; Ferraro MB; Alkorta I; Elguero J; Sauer SPA
    Chemphyschem; 2021 Apr; 22(8):764-774. PubMed ID: 33528071
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Performance of Property-Optimized Basis Sets for Optical Rotation with Coupled Cluster Theory.
    Howard JC; Sowndarya S V S; Ansari IM; Mach TJ; Baranowska-Łączkowska A; Crawford TD
    J Phys Chem A; 2018 Jul; 122(28):5962-5969. PubMed ID: 29923720
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Optical Rotation Calculations for Fluorinated Alcohols, Amines, Amides, and Esters.
    Haghdani S; Hoff BH; Koch H; Åstrand PO
    J Phys Chem A; 2016 Oct; 120(40):7973-7986. PubMed ID: 27652907
    [TBL] [Abstract][Full Text] [Related]  

  • 13. New Basis Set for the Evaluation of Specific Rotation in Flexible Biological Molecules in Solution.
    Baranowska-Łączkowska A; Łączkowski KZ; Henriksen C; Fernández B
    J Phys Chem A; 2018 Jun; 122(24):5477-5483. PubMed ID: 29792432
    [TBL] [Abstract][Full Text] [Related]  

  • 14. A molecular orbital selection approach for fast calculations of specific rotation with density functional theory.
    Aharon T; Caricato M
    Chirality; 2020 Mar; 32(3):243-253. PubMed ID: 31863681
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Intermolecular potentials of the silane dimer calculated with Hartree-Fock theory, Møller-Plesset perturbation theory, and density functional theory.
    Pai CC; Li AH; Chao SD
    J Phys Chem A; 2007 Nov; 111(46):11922-9. PubMed ID: 17963367
    [TBL] [Abstract][Full Text] [Related]  

  • 16. FTIR spectra and density functional theory P.E.D. assignments of oxiranes in Ar matrix at 12 K.
    Gontrani L; Cesaro SN; Stranges S; Bencivenni L; Pieretti A
    Spectrochim Acta A Mol Biomol Spectrosc; 2014; 120():558-67. PubMed ID: 24374483
    [TBL] [Abstract][Full Text] [Related]  

  • 17. 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]  

  • 18. The role of asynchronous bond formation in the diastereoselective epoxidation of cyclic enol ethers: a density functional theory study.
    Orendt AM; Roberts SW; Rainier JD
    J Org Chem; 2006 Jul; 71(15):5565-73. PubMed ID: 16839135
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Quantifying the Performances of DFT for Predicting Vibrationally Resolved Optical Spectra: Asymmetric Fluoroborate Dyes as Working Examples.
    Bednarska J; Zaleśny R; Bartkowiak W; Ośmiałowski B; Medved' M; Jacquemin D
    J Chem Theory Comput; 2017 Sep; 13(9):4347-4356. PubMed ID: 28777575
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Optical Rotation Calculations for a Set of Pyrrole Compounds.
    Haghdani S; Gautun OR; Koch H; Åstrand PO
    J Phys Chem A; 2016 Sep; 120(37):7351-60. PubMed ID: 27571252
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 6.