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Results: 1 to 20 of 95

1.

[Identification of vibration characteristics in infrared spectrum of polybrominated diphenyl ethers congeners based on Br substituents].

Jiang L, Wen JY, Li Y.

Guang Pu Xue Yu Guang Pu Fen Xi. 2014 May;34(5):1211-6. Chinese.

PMID:
25095409
[PubMed - in process]
2.

[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. Chinese.

PMID:
24555401
[PubMed - in process]
3.

A theoretical study on reductive debromination of polybrominated diphenyl ethers.

Hu JW, Zhuang Y, Luo J, Wei XH, Huang XF.

Int J Mol Sci. 2012;13(7):9332-42. doi: 10.3390/ijms13079332. Epub 2012 Jul 24.

PMID:
22942768
[PubMed]
Free PMC Article
4.

Gas chromatography and mass spectrometry of methoxylated polybrominated diphenyl ethers (MeO-PBDEs).

Athanasiadou M, Marsh G, Athanassiadis I, Asplund L, Bergman A.

J Mass Spectrom. 2006 Jun;41(6):790-801.

PMID:
16705671
[PubMed - indexed for MEDLINE]
5.

Vibrational, NMR spectrum and orbital analysis of 3,3',5,5'-tetrabromobisphenol A: a combined experimental and computational study.

Qiu S, Wei J, Pan F, Liu J, Zhang A.

Spectrochim Acta A Mol Biomol Spectrosc. 2013 Mar 15;105:38-44. doi: 10.1016/j.saa.2012.12.004. Epub 2012 Dec 12.

PMID:
23291227
[PubMed - indexed for MEDLINE]
6.

Infrared and Raman spectra of 3,5-diamino-6-(o-C6H4X)-1,2,4-triazines [X = F, Cl, Br, CH3].

Withnall R, Chowdhry BZ.

Spectrochim Acta A Mol Biomol Spectrosc. 2002 Jun;58(8):1721-9.

PMID:
12166743
[PubMed - indexed for MEDLINE]
7.

Effects of excited-state structures and properties on photochemical degradation of polybrominated diphenyl ethers: a TDDFT study.

Wang S, Hao C, Gao Z, Chen J, Qiu J.

Chemosphere. 2012 Jun;88(1):33-8. doi: 10.1016/j.chemosphere.2012.02.043. Epub 2012 Mar 18.

PMID:
22429844
[PubMed - indexed for MEDLINE]
8.

Synthesis of Br(7)-Br(9) hydroxylated/methoxylated polybrominated diphenyl ethers (OH/MeO-PBDEs) and analyses on mass spectra and GC data of the MeO-PBDEs.

Sun Y, Ren G, Ma S, Zheng K, Yu Z, Wu M, Sheng G, Fu J.

Chemosphere. 2013 Jul;92(3):286-92. doi: 10.1016/j.chemosphere.2013.03.026. Epub 2013 Apr 10.

PMID:
23582707
[PubMed - indexed for MEDLINE]
9.

Photolytic debromination pathway of polybrominated diphenyl ethers in hexane by sunlight.

Wei H, Zou Y, Li A, Christensen ER, Rockne KJ.

Environ Pollut. 2013 Mar;174:194-200. doi: 10.1016/j.envpol.2012.11.035. Epub 2012 Dec 25.

PMID:
23274447
[PubMed - indexed for MEDLINE]
10.

Photochemical degradation of six polybrominated diphenyl ether congeners under ultraviolet irradiation in hexane.

Fang L, Huang J, Yu G, Wang L.

Chemosphere. 2008 Mar;71(2):258-67. Epub 2007 Nov 5.

PMID:
17983642
[PubMed - indexed for MEDLINE]
11.

Theoretical study on the chemical properties of polybrominated diphenyl ethers.

Zhao YY, Tao FM, Zeng EY.

Chemosphere. 2008 Jan;70(5):901-7. Epub 2007 Aug 17.

PMID:
17707458
[PubMed - indexed for MEDLINE]
12.

Predicting gas chromatographic retention times for the 209 polybrominated diphenyl ether congeners.

Rayne S, Ikonomou MG.

J Chromatogr A. 2003 Oct 24;1016(2):235-48.

PMID:
14601842
[PubMed - indexed for MEDLINE]
13.

Molecular structure and vibrational spectra of three substituted 4-thioflavones by density functional theory and ab initio Hartree-Fock calculations.

Li XH, Liu XR, Zhang XZ.

Spectrochim Acta A Mol Biomol Spectrosc. 2011 Jan;78(1):528-36. doi: 10.1016/j.saa.2010.11.022. Epub 2010 Nov 23.

PMID:
21156350
[PubMed - indexed for MEDLINE]
14.
15.

Inner hydrogen atom transfer in benzo-fused low symmetrical metal-free tetraazaporphyrin and phthalocyanine analogues: density functional theory studies.

Qi D, Zhang Y, Cai X, Jiang J, Bai M.

J Mol Graph Model. 2009 Feb;27(6):693-700. doi: 10.1016/j.jmgm.2008.10.008. Epub 2008 Nov 5.

PMID:
19097816
[PubMed - indexed for MEDLINE]
16.

Vibrational spectroscopic investigation and DFT studies on 2,2',4,4'-tetrabromodiphenyl ether.

Qiu S, Liu L, Jin X, Zhang A, Wu K, Wang L.

Spectrochim Acta A Mol Biomol Spectrosc. 2010 Oct 15;77(3):572-8. doi: 10.1016/j.saa.2010.05.012. Epub 2010 May 24.

PMID:
20650676
[PubMed - indexed for MEDLINE]
17.

FT-IR and Raman spectra, ab initio and density functional computations of the vibrational spectra, molecular geometries and atomic charges of uracil and 5-halogenated uracils (5-X-uracils; X=F, Cl, Br, I).

Singh JS.

Spectrochim Acta A Mol Biomol Spectrosc. 2014 Jan 3;117:502-18. doi: 10.1016/j.saa.2013.08.004. Epub 2013 Aug 22.

PMID:
24036044
[PubMed - indexed for MEDLINE]
18.

Transmission of electronic substituent effects through a benzene framework: a computational study of 4-substituted biphenyls based on structural variation.

Campanelli AR, Domenicano A, Ramondo F.

J Phys Chem A. 2012 Aug 9;116(31):8209-17. doi: 10.1021/jp303722w. Epub 2012 Jul 26.

PMID:
22784397
[PubMed - indexed for MEDLINE]
19.

Synthesis of 81Br-labeled polybrominated diphenyl ethers and their characterization using GC(EI)MS and GC(ICP)MS.

González-Gago A, Marchante-Gayón JM, Ferrero M, Garcia Alonso JI.

Anal Chem. 2010 Apr 1;82(7):2879-87. doi: 10.1021/ac902889u.

PMID:
20218608
[PubMed]
20.

Study of polybrominated diphenyl ethers using both positive and negative atmospheric pressure photoionization and tandem mass spectrometry.

Riu A, Zalko D, Debrauwer L.

Rapid Commun Mass Spectrom. 2006;20(14):2133-42.

PMID:
16773670
[PubMed - indexed for MEDLINE]

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