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.
182 related articles for article (PubMed ID: 20184334)
1. Effect of electronegative substituents and angular dependence on the heteronuclear spin-spin coupling constant 3J(C-H): an empirical prediction equation derived by density functional theory calculations. Palermo G; Riccio R; Bifulco G J Org Chem; 2010 Mar; 75(6):1982-91. PubMed ID: 20184334 [TBL] [Abstract][Full Text] [Related]
2. DFT and NMR studies of 2JCOH, 3JHCOH, and 3JCCOH spin-couplings in saccharides: C-O torsional bias and H-bonding in aqueous solution. Zhao H; Pan Q; Zhang W; Carmichael I; Serianni AS J Org Chem; 2007 Sep; 72(19):7071-82. PubMed ID: 17316047 [TBL] [Abstract][Full Text] [Related]
3. Geminal 2JCCH spin-spin coupling constants as probes of the phi glycosidic torsion angle in oligosaccharides. Klepach TE; Carmichael I; Serianni AS J Am Chem Soc; 2005 Jul; 127(27):9781-93. PubMed ID: 15998083 [TBL] [Abstract][Full Text] [Related]
4. New Karplus equations for 2JHH, 3JHH, 2JCH, 3JCH, 3JCOCH, 3JCSCH, and 3JCCCH in some aldohexopyranoside derivatives as determined using NMR spectroscopy and density functional theory calculations. Tafazzoli M; Ghiasi M Carbohydr Res; 2007 Oct; 342(14):2086-96. PubMed ID: 17583685 [TBL] [Abstract][Full Text] [Related]
5. Probing (1)J(C-F) and (n)J(F-F) spin-spin coupling constants for fluoroazines: an ab initio theoretical investigation. Del Bene JE; Alkorta I; Elguero J J Phys Chem A; 2010 Feb; 114(7):2637-43. PubMed ID: 20112975 [TBL] [Abstract][Full Text] [Related]
6. DFT and NMR parameterized conformation of valeranone. Torres-Valencia JM; Meléndez-Rodríguez M; Alvarez-García R; Cerda-García-Rojas CM; Joseph-Nathan P Magn Reson Chem; 2004 Oct; 42(10):898-902. PubMed ID: 15366065 [TBL] [Abstract][Full Text] [Related]
7. Oligosaccharide trans-glycoside 3JCOCC Karplus curves are not equivalent: effect of internal electronegative substituents. Zhao H; Carmichael I; Serianni AS J Org Chem; 2008 Apr; 73(8):3255-7. PubMed ID: 18351773 [TBL] [Abstract][Full Text] [Related]
8. 1-Cyclohepta-2,4,6-trienyl-selanes--a 77Se NMR study: indirect nuclear 77Se--13C spin-spin coupling constants and application of density functional theory (DFT) calculations. Wrackmeyer B; Hernández ZG; Herberhold M Magn Reson Chem; 2007 Mar; 45(3):198-204. PubMed ID: 17183533 [TBL] [Abstract][Full Text] [Related]
9. 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]
10. 1H and 13C NMR chemical shifts and spin-spin coupling constants in trans- and cis-decalins. Dodziuk H; Jaszuński M; Schilf W Magn Reson Chem; 2005 Aug; 43(8):639-46. PubMed ID: 15915544 [TBL] [Abstract][Full Text] [Related]
11. N-acetyl side-chains in saccharides: NMR J-coupling equations sensitive to CH-NH and NH-CO bond conformations in 2-acetamido-2-deoxy-aldohexopyranosyl rings. Hu X; Carmichael I; Serianni AS J Org Chem; 2010 Aug; 75(15):4899-910. PubMed ID: 20604546 [TBL] [Abstract][Full Text] [Related]
12. A DFT study of the Karplus-type dependence of vicinal (3)J(Sn-C-X-C), X=N,O,S, in organotin(iv) compounds: application to conformationally flexible systems. Casella G; Ferrante F; Saielli G Org Biomol Chem; 2010 Jun; 8(12):2711-8. PubMed ID: 20390147 [TBL] [Abstract][Full Text] [Related]
14. Insights into the mobility of methyl-bearing side chains in proteins from (3)J(CC) and (3)J(CN) couplings. Chou JJ; Case DA; Bax A J Am Chem Soc; 2003 Jul; 125(29):8959-66. PubMed ID: 12862493 [TBL] [Abstract][Full Text] [Related]
15. Structural interpretation of J coupling constants in guanosine and deoxyguanosine: modeling the effects of sugar pucker, backbone conformation, and base pairing. Vokácová Z; Bickelhaupt FM; Sponer J; Sychrovský V J Phys Chem A; 2009 Jul; 113(29):8379-86. PubMed ID: 19569693 [TBL] [Abstract][Full Text] [Related]
16. Dynamic stereochemistry of erigeroside by measurement of 1H-1H and 13C-1H coupling constants. Tafazzoli M; Ghiasi M; Moridi M Spectrochim Acta A Mol Biomol Spectrosc; 2008 Jul; 70(2):350-7. PubMed ID: 18083614 [TBL] [Abstract][Full Text] [Related]
17. Indirect NMR spin-spin coupling constants 3J(P,C) and 2J(P,H) across the P-O...H-C link can be used for structure determination of nucleic acids. Sychrovský V; Sponer J; Trantírek L; Schneider B J Am Chem Soc; 2006 May; 128(21):6823-8. PubMed ID: 16719462 [TBL] [Abstract][Full Text] [Related]
18. 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]
19. Structural studies on aryl-substituted enaminoketones and their thio analogues. Part II. Experimental and DFT calculated carbon-carbon coupling constants, (n)J(CC)'s (n = 1-3). Bugaj M; Baran PA; Kamieńska-Trela K; Krówczyński A Magn Reson Chem; 2009 Oct; 47(10):843-56. PubMed ID: 19629950 [TBL] [Abstract][Full Text] [Related]