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 *

174 related articles for article (PubMed ID: 22583218)

  • 1. The analysis of NMR J-couplings of saturated and unsaturated compounds by the localized second order polarization propagator approach method.
    Zarycz N; Aucar GA
    J Chem Phys; 2012 May; 136(17):174115. PubMed ID: 22583218
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Analysis of electron correlation effects and contributions of NMR J-couplings from occupied localized molecular orbitals.
    Zarycz N; Aucar GA
    J Phys Chem A; 2012 Feb; 116(4):1272-82. PubMed ID: 22217318
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Interpretation of indirect nuclear spin-spin couplings in isomers of adenine: novel approach to analyze coupling electron deformation density using localized molecular orbitals.
    Marek R; Krístková A; Malináková K; Tousek J; Marek J; Hocek M; Malkina OL; Malkin VG
    J Phys Chem A; 2010 Jun; 114(24):6689-700. PubMed ID: 20518482
    [TBL] [Abstract][Full Text] [Related]  

  • 4. A Systematic Comparison of Second-Order Polarization Propagator Approximation (SOPPA) and Equation-of-Motion Coupled Cluster Singles and Doubles (EOM-CCSD) Spin-Spin Coupling Constants for Selected Singly Bonded Molecules, and the Hydrides NH3, H2O, and HF and Their Protonated and Deprotonated Ions and Hydrogen-Bonded Complexes.
    Del Bene JE; Alkorta I; Elguero J
    J Chem Theory Comput; 2008 Jun; 4(6):967-73. PubMed ID: 26621237
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Stereochemical dependence of NMR geminal spin-spin coupling constants.
    Contreras RH; Provasi PF; dos Santos FP; Tormena CF
    Magn Reson Chem; 2009 Feb; 47(2):113-20. PubMed ID: 18991325
    [TBL] [Abstract][Full Text] [Related]  

  • 6. A systematic comparison of second-order polarization propagator approximation and equation-of-motion coupled cluster singles and doubles C-C, C-N, N-N, C-H, and N-H spin-spin coupling constants.
    Del Bene JE; Alkorta I; Elguero J
    J Phys Chem A; 2009 Nov; 113(45):12411-20. PubMed ID: 19462958
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Non-empirical calculations of NMR indirect spin-spin coupling constants. Part 13: configurational assignment of aminosulfonylamidines.
    Krivdin LB; Larina LI; Chernyshev KA; Rozentsveig IB
    Magn Reson Chem; 2005 Nov; 43(11):937-42. PubMed ID: 16088861
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Non-empirical calculations of NMR indirect carbon-carbon coupling constants. Part 12--aliphatic and alicyclic oximes.
    Krivdin LB; Scherbina NA; Istomina NV
    Magn Reson Chem; 2005 Jun; 43(6):435-43. PubMed ID: 15809975
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Nonempirical calculations of the one-bond (29)Si-(13)C spin-spin coupling constants taking into account relativistic and solvent corrections.
    Rusakova IL; Rusakov YY; Krivdin LB
    Magn Reson Chem; 2014 Aug; 52(8):413-21. PubMed ID: 24796525
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Difluorobenzenes revisited: an experimental and theoretical study of spin-spin coupling constants for 1,2-, 1,3-, and 1,4-difluorobenzene.
    Alkorta I; Blanco F; Del Bene JE; Elguero J; Hernández-Folgado L; Jimeno ML
    Magn Reson Chem; 2010 Jan; 48(1):68-73. PubMed ID: 19941318
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Experimental, SOPPA(CCSD), and DFT analysis of substitutent effects on NMR 1JCF coupling constants in fluorobenzene derivatives.
    Vilcachagua JD; Ducati LC; Rittner R; Contreras RH; Tormena CF
    J Phys Chem A; 2011 Feb; 115(7):1272-9. PubMed ID: 21280628
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Communication: Localized molecular orbital analysis of the effect of electron correlation on the anomalous isotope effect in the NMR spin-spin coupling constant in methane.
    Zarycz MN; Sauer SP; Provasi PF
    J Chem Phys; 2014 Oct; 141(15):151101. PubMed ID: 25338873
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Indirect "no-bond" ³¹P···³¹P spin-spin couplings in P,P-[3]ferrocenophanes: insights from solid-state NMR spectroscopy and DFT calculations.
    Wiegand T; Eckert H; Ren J; Brunklaus G; Fröhlich R; Daniliuc CG; Lübbe G; Bussmann K; Kehr G; Erker G; Grimme S
    J Phys Chem A; 2014 Mar; 118(12):2316-31. PubMed ID: 24559453
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Unexpected geometrical effects on paramagnetic spin-orbit and spin-dipolar 2J(FF) couplings.
    Ducati LC; Contreras RH; Tormena CF
    J Phys Chem A; 2012 May; 116(20):4930-3. PubMed ID: 22533483
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Systematic Comparison of Second-Order Polarization Propagator Approximation (SOPPA) and Equation-of-Motion Coupled Cluster Singles and Doubles (EOM-CCSD) Spin-Spin Coupling Constants for Molecules with C, N, and O Double and Triple Bonds and Selected F-Substituted Derivatives.
    Del Bene JE; Alkorta I; Elguero J
    J Chem Theory Comput; 2009 Jan; 5(1):208-16. PubMed ID: 26609834
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Analysis of the electronic origin of the 1JCH spin-spin coupling trend in 1-X-cyclopropanes: experimental and DFT study.
    Cunha Neto A; dos Santos FP; Contreras RH; Rittner R; Tormena CF
    J Phys Chem A; 2008 Nov; 112(46):11956-9. PubMed ID: 18950144
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Effect of electronic interactions on NMR 1J(CF) and 2J(CF) couplings in cis- and trans-4-t-butyl-2-fluorocyclohexanones and their alcohol derivatives.
    Anizelli PR; Favaro DC; Contreras RH; Tormena CF
    J Phys Chem A; 2011 Jun; 115(22):5684-92. PubMed ID: 21563802
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Structural trends of 29Si-1H spin-spin coupling constants across double bond.
    Rusakov YY; Krivdin LB; Nosova VM; Kisin AV; Lakhtin VG
    Magn Reson Chem; 2012 Oct; 50(10):665-71. PubMed ID: 22936622
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Illumination of the effect of the overlap of lone-pairs on indirect nuclear spin-spin coupling constants.
    Malkina OL; Křístková A; Malkin E; Komorovský S; Malkin VG
    Phys Chem Chem Phys; 2011 Sep; 13(35):16015-21. PubMed ID: 21826305
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Structural trends of 77Se-1H spin-spin coupling constants and conformational behavior of 2-substituted selenophenes.
    Rusakov YY; Krivdin LB; Sauer SP; Levanova EP; Levkovskaya GG
    Magn Reson Chem; 2010 Jan; 48(1):44-52. PubMed ID: 19877126
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 9.