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Items: 1 to 20 of 148

1.

Computed NMR shielding of phosphorus-containing conjugated five-membered ring heterocycles as a measure of aromaticity.

Martin NH, Robinson JD.

J Mol Graph Model. 2012 Sep;38:26-30. doi: 10.1016/j.jmgm.2012.07.008. Epub 2012 Aug 8.

PMID:
23079640
2.

Computed NMR shielding increments over unsaturated five-membered ring heterocyclic compounds as a measure of aromaticity.

Martin NH, Rowe JE, Pittman EL.

J Mol Graph Model. 2009 Jun-Jul;27(8):853-9. doi: 10.1016/j.jmgm.2009.01.002. Epub 2009 Jan 22.

PMID:
19213585
3.

Computed NMR shielding increments over benzo-analogs of unsaturated five-membered ring heterocyclic compounds as a measure of aromaticity.

Martin NH, Rowe JE, Pittman EL.

J Mol Graph Model. 2010 Apr;28(7):650-6. doi: 10.1016/j.jmgm.2010.01.005. Epub 2010 Jan 18.

PMID:
20129806
4.

Computation of through-space NMR shielding effects by small-ring aromatic and antiaromatic hydrocarbons.

Martin NH, Loveless DM, Main KL, Wade DC.

J Mol Graph Model. 2006 Dec;25(4):389-95. Epub 2006 Feb 28.

PMID:
16574447
5.

Chemical bonding and aromaticity in furan, pyrrole, and thiophene: a magnetic shielding study.

Horner KE, Karadakov PB.

J Org Chem. 2013 Aug 16;78(16):8037-43. doi: 10.1021/jo401319k. Epub 2013 Aug 1.

PMID:
23879676
6.

Computation of through-space NMR shielding effects in aromatic ring pi-stacked complexes.

Martin NH, Floyd RM, Woodcock HL, Huffman S, Lee CK.

J Mol Graph Model. 2008 Apr;26(7):1125-30. Epub 2007 Oct 9.

PMID:
18023380
7.

Ab initio calculation of through-space magnetic shielding of linear polycyclic aromatic hydrocarbons (acenes): extent of aromaticity.

Martin NH, Caldwell BW, Carlson KP, Teague MR.

J Mol Graph Model. 2009 Feb;27(6):689-92. doi: 10.1016/j.jmgm.2008.10.007. Epub 2008 Nov 5.

PMID:
19081276
8.

Computation of through-space NMR shielding effects by aromatic ring-cation complexes: substantial synergistic effect of complexation.

Martin NH, Main KL, Pyles AK.

J Mol Graph Model. 2007 Mar;25(6):806-12. Epub 2006 Sep 7.

PMID:
16959511
9.

Computation of through-space NMR shielding effects by functional groups common to peptides.

Martin NH, Loveless DM, Main KL, Pyles AK.

J Mol Graph Model. 2006 Sep;25(1):1-9. Epub 2005 Nov 18.

PMID:
16300978
10.

An NMR shielding model for protons above the plane of a carbonyl group.

Martin NH, Allen NW 3rd, Brown JD, Kmiec DM Jr, Vo L.

J Mol Graph Model. 2003 Nov;22(2):127-31.

PMID:
12932783
11.

A comparison of calculated NMR shielding probes.

Martin NH, Loveless DM, Wade DC.

J Mol Graph Model. 2004 Dec;23(3):285-90.

PMID:
15530824
13.

To what extent can aromaticity be defined uniquely?

CyraƱski MK, Krygowski TM, Katritzky AR, Schleyer Pv.

J Org Chem. 2002 Feb 22;67(4):1333-8.

PMID:
11846683
14.

Shielding in and around Oxazole, Imidazole, and Thiazole: How Does the Second Heteroatom Affect Aromaticity and Bonding?

Horner KE, Karadakov PB.

J Org Chem. 2015 Jul 17;80(14):7150-7. doi: 10.1021/acs.joc.5b01010. Epub 2015 Jun 26.

PMID:
26083580
15.
16.

An algorithm for predicting the NMR shielding of protons over substituted benzene rings.

Martin NH, Allen NW 3rd, Moore JC.

J Mol Graph Model. 2000 Jun;18(3):242-6, 300-1.

PMID:
11021540
17.

Effect of Mono- and Poly-CH/P Exchange(s) on the Aromaticity of the Tropylium Ion.

Puri A, Gupta R.

Molecules. 2016 Aug 20;21(8). pii: E1099. doi: 10.3390/molecules21081099.

18.

Structural elucidation of nitro-substituted five-membered aromatic heterocycles utilizing GIAO DFT calculations.

Katritzky AR, Akhmedov NG, Doskocz J, Hall CD, Akhmedova RG, Majumder S.

Magn Reson Chem. 2007 Jan;45(1):5-23.

PMID:
17042032
19.

Reactivity-based toxicity modelling of five-membered heterocyclic compounds: application to Tetrahymena pyriformis.

Schultz TW, Sparfkin CL, Aptula AO.

SAR QSAR Environ Res. 2010 Oct;21(7-8):681-91. doi: 10.1080/1062936X.2010.528933.

PMID:
21120756
20.

Modeling through-space magnetic shielding over ethynyl, cyano, and nitro groups.

Martin NH, Nance KH.

J Mol Graph Model. 2002 Aug;21(1):51-6.

PMID:
12413031

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