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Items: 1 to 20 of 87

1.

Molecular conformations of crystalline L-cysteine determined with vibrational cross angle measurements.

Chen H, Bian H, Li J, Guo X, Wen X, Zheng J.

J Phys Chem B. 2013 Dec 12;117(49):15614-24. doi: 10.1021/jp406232k. Epub 2013 Sep 11.

PMID:
23981130
2.

Phase transitions in the crystals of L- and DL-cysteine on cooling: intermolecular hydrogen bonds distortions and the side-chain motions of thiol-groups. 1. L-cysteine.

Kolesov BA, Minkov VS, Boldyreva EV, Drebushchak TN.

J Phys Chem B. 2008 Oct 9;112(40):12827-39. doi: 10.1021/jp804142c. Epub 2008 Sep 13.

PMID:
18793012
3.

Relative intermolecular orientation probed via molecular heat transport.

Chen H, Bian H, Li J, Wen X, Zheng J.

J Phys Chem A. 2013 Jul 25;117(29):6052-65. doi: 10.1021/jp312604v. Epub 2013 Mar 12.

PMID:
23438014
4.

Vibrational analysis of crystalline tri-L-alanine.

Qian W, Bandekar J, Krimm S.

Biopolymers. 1991 Feb 5;31(2):193-210.

5.

Vibrational cross-angles in condensed molecules: a structural tool.

Chen H, Zhang Y, Li J, Liu H, Jiang DE, Zheng J.

J Phys Chem A. 2013 Sep 5;117(35):8407-15. doi: 10.1021/jp406304c. Epub 2013 Aug 23.

PMID:
23937563
6.

A high pressure study of the eigenvectors of the infra-red active vibrational modes of crystalline adenosine.

Starkey CA, Lee SA, Anderson A.

J Biomol Struct Dyn. 2016;34(4):716-23. doi: 10.1080/07391102.2015.1054434. Epub 2015 Jun 15.

PMID:
26009279
7.

L-cysteinium semioxalate: a new monoclinic polymorph or a hydrate?

Minkov VS, Boldyreva EV.

Acta Crystallogr C. 2011 Apr;67(Pt 4):o139-42. doi: 10.1107/S0108270111009760. Epub 2011 Mar 19.

PMID:
21467621
8.

The hydrogen bonding and conformations of p-tert-butylcalix[4]arene as studied by IR spectroscopy and by DFT calculations.

Furer VL, Borisoglebskaya EI, Zverev VV, Kovalenko VI.

Spectrochim Acta A Mol Biomol Spectrosc. 2005 Nov;62(1-3):483-93.

PMID:
16257751
9.

Theoretical prediction and the first IR matrix observation of several L-cysteine molecule conformers.

Dobrowolski JC, Jamróz MH, Kołos R, Rode JE, Sadlej J.

Chemphyschem. 2007 May 14;8(7):1085-94.

PMID:
17429824
10.

Density functional theory study on vibrational circular dichroism as a tool for analysis of intermolecular systems: (1:1) cysteine-water complex conformations.

Sadlej J, Dobrowolski JC, Rode JE, Jamróz MH.

J Phys Chem A. 2007 Oct 25;111(42):10703-11. Epub 2007 Oct 3.

PMID:
17914767
11.

Density functional theory study on the structure and vibrational frequencies of glycylglycine.

Zhao B, Wang C, Zhao S, Qin M, Zhou Z, Sun Y.

Spectrochim Acta A Mol Biomol Spectrosc. 2008 Jul;70(2):301-6. Epub 2007 Aug 19.

PMID:
17919969
12.

A structure-based analysis of the vibrational spectra of nitrosyl ligands in transition-metal coordination complexes and clusters.

De La Cruz C, Sheppard N.

Spectrochim Acta A Mol Biomol Spectrosc. 2011 Jan;78(1):7-28. doi: 10.1016/j.saa.2010.08.001. Epub 2010 Aug 17.

PMID:
21123107
13.

Proton dynamics in the strong chelate hydrogen bond of crystalline picolinic acid N-oxide. A new computational approach and infrared, raman and INS study.

Stare J, Panek J, Eckert J, Grdadolnik J, Mavri J, Hadzi D.

J Phys Chem A. 2008 Feb 21;112(7):1576-86. doi: 10.1021/jp077107u. Epub 2008 Jan 29.

PMID:
18225869
14.

High-pressure polymorphism in L-cysteine: the crystal structures of L-cysteine-III and L-cysteine-IV.

Moggach SA, Allan DR, Clark SJ, Gutmann MJ, Parsons S, Pulham CR, Sawyer L.

Acta Crystallogr B. 2006 Apr;62(Pt 2):296-309. Epub 2006 Mar 15.

PMID:
16552164
15.

Polarized infrared spectra of crystalline glycosaminoglycans.

Cael JJ, Isaac DH, Blackwell J, Koenig JL.

Carbohydr Res. 1976 Sep;50(2):169-79.

PMID:
991159
16.

Two-dimensional infrared spectroscopy of intermolecular hydrogen bonds in the condensed phase.

Elsaesser T.

Acc Chem Res. 2009 Sep 15;42(9):1220-8. doi: 10.1021/ar900006u. Review.

PMID:
19425543
17.

Vibrational spectral studies and non-linear optical properties of L-leucine L-leucinium picrate: a Density Functional Theory approach.

Guidara S, Feki H, Abid Y.

Spectrochim Acta A Mol Biomol Spectrosc. 2013 Nov;115:437-44. doi: 10.1016/j.saa.2013.06.080. Epub 2013 Jul 1.

PMID:
23867646
18.

Mapping molecular conformations with multiple-mode two-dimensional infrared spectroscopy.

Bian H, Li J, Wen X, Sun Z, Song J, Zhuang W, Zheng J.

J Phys Chem A. 2011 Apr 21;115(15):3357-65. doi: 10.1021/jp200516p. Epub 2011 Mar 25.

PMID:
21438508
19.
20.

The spectroscopic (FT-IR, FT-Raman), NCA, first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis of L-cysteine by ab inito HF and density functional method.

Chandra S, Saleem H, Sebastian S, Sundaraganesan N.

Spectrochim Acta A Mol Biomol Spectrosc. 2011 May;78(5):1515-24. doi: 10.1016/j.saa.2011.01.043. Epub 2011 Feb 2.

PMID:
21377921

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