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.
100 related articles for article (PubMed ID: 27055178)
1. Application of 1,1-ADEQUATE, HMBC, and Density Functional Theory To Determine Regioselectivity in the Halogenation of Pyridine N-Oxides. Hwang TL; Bartberger MD; Chen Y Org Lett; 2016 May; 18(9):1956-9. PubMed ID: 27055178 [TBL] [Abstract][Full Text] [Related]
2. Origins of regioselectivity in 1,3-dipolar cycloadditions of nitrile oxides with alkynylboronates. Lin B; Yu P; He CQ; Houk KN Bioorg Med Chem; 2016 Oct; 24(20):4787-4790. PubMed ID: 27501912 [TBL] [Abstract][Full Text] [Related]
3. Reactions of 2-Propanol Radical with Halogenated Organics in Aqueous Solution: Theoretical Evidence for Proton-Coupled Electron Transfer and Competing Mechanisms. Ljubić I; Sabljić A; Bonifačić M J Phys Chem B; 2016 Nov; 120(45):11810-11820. PubMed ID: 27766877 [TBL] [Abstract][Full Text] [Related]
4. Proton-bound dimers of nitrogen heterocyclic molecules: substituent effects on the structures and binding energies of homodimers of diazine, triazine, and fluoropyridine. Attah IK; Platt SP; Meot-Ner Mautner M; El-Shall MS; Aziz SG; Alyoubi AO J Chem Phys; 2014 Mar; 140(11):114313. PubMed ID: 24655186 [TBL] [Abstract][Full Text] [Related]
5. HMBC-1,n-ADEQUATE spectra calculated from HMBC and 1,n-ADEQUATE spectra. Martin GE; Blinov KA; Williamson RT Magn Reson Chem; 2013 May; 51(5):299-307. PubMed ID: 23483673 [TBL] [Abstract][Full Text] [Related]
6. Influence of substituents in fluorobenzene derivatives on the cytochrome P450-catalyzed hydroxylation at the adjacent ortho aromatic carbon center. Koerts J; Velraeds MM; Soffers AE; Vervoort J; Rietjens IM Chem Res Toxicol; 1997 Mar; 10(3):279-88. PubMed ID: 9084907 [TBL] [Abstract][Full Text] [Related]
7. Computational study of the hydrodefluorination of fluoroarenes at [Ru(NHC)(PR3)2(CO)(H)2]: predicted scope and regioselectivities. Macgregor SA; McKay D; Panetier JA; Whittlesey MK Dalton Trans; 2013 May; 42(20):7386-95. PubMed ID: 23400241 [TBL] [Abstract][Full Text] [Related]
8. Quantum-chemical predictions of pKa's of thiols in DMSO. Yu HZ; Yang YM; Zhang L; Dang ZM; Hu GH J Phys Chem A; 2014 Jan; 118(3):606-22. PubMed ID: 24387165 [TBL] [Abstract][Full Text] [Related]
9. Hydroacridines: part 29. 15N NMR chemical shifts of 9-substituted 1,2,3,4,5,6,7,8-octahydroacridines and their N-oxides-Taft, Swain-Lupton, and other types of linear correlations. Potmischil F; Marinescu M; Nicolescu A; Deleanu C; Hillebrand M Magn Reson Chem; 2008 Dec; 46(12):1141-7. PubMed ID: 18844244 [TBL] [Abstract][Full Text] [Related]
10. [Study on structure, charge and spectrum for para-halogenated diphenyl ethers through density functional theory]. Jiang L; Cai XY; Zhang C; Zou Q; Li Y Guang Pu Xue Yu Guang Pu Fen Xi; 2013 Nov; 33(11):3151-6. PubMed ID: 24555401 [TBL] [Abstract][Full Text] [Related]
11. Sulfur Dioxide-Pyridine Dimer. FTIR and Theoretical Evidence for a Low-Symmetry Structure. Keller JW J Phys Chem A; 2015 Oct; 119(41):10390-8. PubMed ID: 26401726 [TBL] [Abstract][Full Text] [Related]
12. Unusual Regioselectivity of the Dipolar Cycloaddition Reactions of Nitrile Oxides and Tertiary Cinnamides and Crotonamides(1). Weidner-Wells MA; Fraga-Spano SA; Turchi IJ J Org Chem; 1998 Sep; 63(18):6319-6328. PubMed ID: 11672265 [TBL] [Abstract][Full Text] [Related]
13. Computational Methods to Predict the Regioselectivity of Electrophilic Aromatic Substitution Reactions of Heteroaromatic Systems. Kruszyk M; Jessing M; Kristensen JL; Jørgensen M J Org Chem; 2016 Jun; 81(12):5128-34. PubMed ID: 27176051 [TBL] [Abstract][Full Text] [Related]
14. Highly Regioselective Halogenation of Pyridine N-Oxide: Practical Access to 2-Halo-Substituted Pyridines. Chen Y; Huang J; Hwang TL; Chen MJ; Tedrow JS; Farrell RP; Bio MM; Cui S Org Lett; 2015 Jun; 17(12):2948-51. PubMed ID: 26037223 [TBL] [Abstract][Full Text] [Related]
15. Vibrational analysis of 4-chloro-3-nitrobenzonitrile by quantum chemical calculations. Sert Y; Çırak Ç; Ucun F Spectrochim Acta A Mol Biomol Spectrosc; 2013 Apr; 107():248-55. PubMed ID: 23434551 [TBL] [Abstract][Full Text] [Related]
16. Importance of the Electron Correlation and Dispersion Corrections in Calculations Involving Enamines, Hemiaminals, and Aminals. Comparison of B3LYP, M06-2X, MP2, and CCSD Results with Experimental Data. Castro-Alvarez A; Carneros H; Sánchez D; Vilarrasa J J Org Chem; 2015 Dec; 80(24):11977-85. PubMed ID: 26556606 [TBL] [Abstract][Full Text] [Related]
17. Density functional theory based study on cis-trans isomerism of the amide bond in homodimers of β(2,3)- and β(3)-substituted homoproline. Suresh Kumar NV; Singh H J Phys Chem A; 2014 Mar; 118(11):2120-37. PubMed ID: 24559065 [TBL] [Abstract][Full Text] [Related]
18. Accurate ab initio calculations of O-HO and O-H(-)O proton chemical shifts: towards elucidation of the nature of the hydrogen bond and prediction of hydrogen bond distances. Siskos MG; Tzakos AG; Gerothanassis IP Org Biomol Chem; 2015 Sep; 13(33):8852-68. PubMed ID: 26196256 [TBL] [Abstract][Full Text] [Related]
19. Regioselectivity of pyridine deprotonation in the gas phase. Schafman BS; Wenthold PG J Org Chem; 2007 Mar; 72(5):1645-51. PubMed ID: 17266374 [TBL] [Abstract][Full Text] [Related]
20. Photocatalyzed ortho-Alkylation of Pyridine N-Oxides through Alkene Cleavage. Zhou W; Miura T; Murakami M Angew Chem Int Ed Engl; 2018 Apr; 57(18):5139-5142. PubMed ID: 29508912 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]