262 related articles for article (PubMed ID: 23169263)
1. 1H NMR spectra of ethane-1,2-diol and other vicinal diols in benzene: GIAO/DFT shift calculations.
Lomas JS
Magn Reson Chem; 2013 Jan; 51(1):32-41. PubMed ID: 23169263
[TBL] [Abstract][Full Text] [Related]
2. 1H NMR spectra of alkane-1,3-diols in benzene: GIAO/DFT shift calculations.
Lomas JS
Magn Reson Chem; 2013 Aug; 51(8):469-81. PubMed ID: 23784999
[TBL] [Abstract][Full Text] [Related]
3. 1H NMR spectra of butane-1,4-diol and other 1,4-diols: DFT calculation of shifts and coupling constants.
Lomas JS
Magn Reson Chem; 2014 Mar; 52(3):87-97. PubMed ID: 24519848
[TBL] [Abstract][Full Text] [Related]
4. 1H NMR spectra of alcohols and diols in chloroform: DFT/GIAO calculation of chemical shifts.
Lomas JS
Magn Reson Chem; 2014 Dec; 52(12):745-54. PubMed ID: 25199903
[TBL] [Abstract][Full Text] [Related]
5. Association of symmetrical alkane diols with pyridine: DFT/GIAO calculation of
Lomas JS; Joubert L; Maurel F
Magn Reson Chem; 2016 Oct; 54(10):805-814. PubMed ID: 27247256
[TBL] [Abstract][Full Text] [Related]
6. (1)H NMR spectra of alcohols in hydrogen bonding solvents: DFT/GIAO calculations of chemical shifts.
Lomas JS
Magn Reson Chem; 2016 Jan; 54(1):28-38. PubMed ID: 26256675
[TBL] [Abstract][Full Text] [Related]
7. 1H chemical shifts in NMR: Part 22-Prediction of the 1H chemical shifts of alcohols, diols and inositols in solution, a conformational and solvation investigation.
Abraham RJ; Byrne JJ; Griffiths L; Koniotou R
Magn Reson Chem; 2005 Aug; 43(8):611-24. PubMed ID: 15986495
[TBL] [Abstract][Full Text] [Related]
8. NMR spectra, GIAO and charge density calculations of five-membered aromatic heterocycles.
Katritzky AR; Akhmedov NG; Doskocz J; Mohapatra PP; Hall CD; Güven A
Magn Reson Chem; 2007 Jul; 45(7):532-43. PubMed ID: 17534885
[TBL] [Abstract][Full Text] [Related]
9. Ab initio conformational studies on diols and binary diol-water systems using DFT methods. Intramolecular hydrogen bonding and 1:1 complex formation with water.
Klein RA
J Comput Chem; 2002 Apr; 23(6):585-99. PubMed ID: 11939593
[TBL] [Abstract][Full Text] [Related]
10. Solvent effects in the GIAO-DFT calculations of the 15N NMR chemical shifts of azoles and azines.
Semenov VA; Samultsev DO; Krivdin LB
Magn Reson Chem; 2014 Nov; 52(11):686-93. PubMed ID: 25102971
[TBL] [Abstract][Full Text] [Related]
11. Synthesis and GIAO NMR calculations for some new 4,5-dihydro-1H-1,2,4-triazol-5-one derivatives: comparison of theoretical and experimental 1H and 13C chemical shifts.
Yüksek H; Gürsoy O; Cakmak I; Alkan M
Magn Reson Chem; 2005 Jul; 43(7):585-7. PubMed ID: 15880480
[TBL] [Abstract][Full Text] [Related]
12. 1H and 13C NMR chemical shift assignments of spiro-cycloalkylidenehomo- and methanofullerenes by the DFT-GIAO method.
Khalilov LM; Tulyabaev AR; Yanybin VM; Tuktarov AR
Magn Reson Chem; 2011 Jun; 49(6):378-84. PubMed ID: 21452349
[TBL] [Abstract][Full Text] [Related]
13. 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]
14. Application of the multi-standard methodology for calculating 1H NMR chemical shifts.
Sarotti AM; Pellegrinet SC
J Org Chem; 2012 Jul; 77(14):6059-65. PubMed ID: 22713105
[TBL] [Abstract][Full Text] [Related]
15. 1H NMR spectra. Part 30(+): 1H chemical shifts in amides and the magnetic anisotropy, electric field and steric effects of the amide group.
Abraham RJ; Griffiths L; Perez M
Magn Reson Chem; 2013 Mar; 51(3):143-55. PubMed ID: 23354811
[TBL] [Abstract][Full Text] [Related]
16. Subtle hydrogen bonds: benchmarking with OH stretching fundamentals of vicinal diols in the gas phase.
Hartwig B; Suhm MA
Phys Chem Chem Phys; 2021 Oct; 23(38):21623-21640. PubMed ID: 34580694
[TBL] [Abstract][Full Text] [Related]
17. A 1H NMR and theoretical investigation of the conformations of some monosubstituted cyclobutanes.
Abraham RJ; Leonard P; Tormena CF
Magn Reson Chem; 2011 Jan; 49(1):23-9. PubMed ID: 21162138
[TBL] [Abstract][Full Text] [Related]
18. Molecular structure investigation and spectroscopic studies on 2,3-difluorophenylboronic acid: a combined experimental and theoretical analysis.
Karabacak M; Kose E; Atac A; Ali Cipiloglu M; Kurt M
Spectrochim Acta A Mol Biomol Spectrosc; 2012 Nov; 97():892-908. PubMed ID: 22902933
[TBL] [Abstract][Full Text] [Related]
19. An NMR, IR and theoretical investigation of (1)H chemical shifts and hydrogen bonding in phenols.
Abraham RJ; Mobli M
Magn Reson Chem; 2007 Oct; 45(10):865-77. PubMed ID: 17729232
[TBL] [Abstract][Full Text] [Related]
20. Quantum chemical and nuclear magnetic resonance spectral studies on molecular properties and electronic structure of berberine and berberrubine.
Tripathi AN; Chauhan L; Thankachan PP; Barthwal R
Magn Reson Chem; 2007 Aug; 45(8):647-55. PubMed ID: 17559166
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]