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Items: 1 to 20 of 215

1.
5.

IR and Raman characterization of the zincocenes (eta(5)-C5Me5)2Zn2 and (eta(5)-C5Me5)(eta(1)-C5Me5)Zn.

del Rio D, Resa I, Rodriguez A, Sánchez L, Köppe R, Downs AJ, Tang CY, Carmona E.

J Phys Chem A. 2008 Oct 23;112(42):10516-25. doi: 10.1021/jp805291e. Epub 2008 Sep 27.

PMID:
18821745
6.

[Electronic structures of organometallic complexes of f elements. Part 54. Electronic Raman and f-f transitions in the low temperature vibrational spectra of Cp3Ce(NCCH3)2].

Amberger HD, Reddmann H, Schultze H, Jank S, Kanellakopulos B, Apostolidis C.

Spectrochim Acta A Mol Biomol Spectrosc. 2003 Sep;59(11):2527-39. German.

PMID:
12963448
7.

Density functional theory study of the Fourier transform infrared and Raman spectra of Cu(II) bis-acetylacetone.

Raissi H, Nowroozi A, Farzad F, Bojd MS.

Spectrochim Acta A Mol Biomol Spectrosc. 2005 Nov;62(1-3):343-52.

PMID:
16257735
8.

A charge-transfer surface enhanced Raman scattering model from time-dependent density functional theory calculations on a Ag10-pyridine complex.

Birke RL, Znamenskiy V, Lombardi JR.

J Chem Phys. 2010 Jun 7;132(21):214707. doi: 10.1063/1.3431210.

PMID:
20528041
9.

Quantum chemistry-based analysis of the vibrational spectra of five-coordinate metalloporphyrins [M(TPP)Cl].

Paulat F, Praneeth VK, Näther C, Lehnert N.

Inorg Chem. 2006 Apr 3;45(7):2835-56.

PMID:
16562940
10.
11.

IR and Raman spectra, ab initio and density functional computations of the vibrational spectra, molecular geometries and atomic charges of uracil and 5-aminouracil.

Singh JS.

Spectrochim Acta A Mol Biomol Spectrosc. 2014 Sep 15;130:313-28. doi: 10.1016/j.saa.2014.04.034. Epub 2014 Apr 20.

PMID:
24793482
12.

FT-IR, FT-Raman spectra, and DFT computations of the vibrational spectra and molecular geometry of chlorzoxazone.

Yurdakul S, Yurdakul M.

Spectrochim Acta A Mol Biomol Spectrosc. 2014 May 21;126:339-48. doi: 10.1016/j.saa.2014.02.156. Epub 2014 Mar 12.

PMID:
24684869
13.

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
14.

FT-IR, FT-Raman, UV spectra and DFT calculations on monomeric and dimeric structure of 2-amino-5-bromobenzoic acid.

Karabacak M, Cinar M.

Spectrochim Acta A Mol Biomol Spectrosc. 2012 Feb;86:590-9. doi: 10.1016/j.saa.2011.11.022. Epub 2011 Nov 18.

PMID:
22153741
15.

Vibrational spectra, quantum chemical calculations and spectral assignments of 1,1-difluoro-1-silacyclohexane.

Guirgis GA, Dukes HW, Wyatt JK, Nielsen CJ, Horn A, Aleksa V, Klaeboe P.

Spectrochim Acta A Mol Biomol Spectrosc. 2015 Feb 5;136 Pt A:51-7. doi: 10.1016/j.saa.2013.10.058. Epub 2013 Oct 25.

PMID:
24238936
16.
17.

Vibrational assignment of aluminum(III) tris-acetylacetone.

Tayyari SF, Raissi H, Ahmadabadi Z.

Spectrochim Acta A Mol Biomol Spectrosc. 2002 Oct;58(12):2669-82.

PMID:
12396050
18.

Sugar-metal ion interactions: the coordination behaviors of lanthanum with erythritol.

Xue J, Hua X, Li W, Yang L, Xu Y, Zhao G, Zhang G, Li C, Liu K, Chen J, Wu J.

Carbohydr Res. 2012 Nov 1;361:12-8. doi: 10.1016/j.carres.2012.07.026. Epub 2012 Aug 8.

PMID:
22960209
19.

Fourier transform infrared and Raman spectra, and AB initio calculations for cadmium(II)-cysteinate glycinate complex [Cd(Cys)(Gly)].

Ramos JM, Faget O G, Felcman J, Téllez S CA.

Spectrochim Acta A Mol Biomol Spectrosc. 2008 Dec 15;71(4):1364-70. doi: 10.1016/j.saa.2008.04.012. Epub 2008 Apr 26. Erratum in: Spectrochim Acta A Mol Biomol Spectrosc. 2009 Feb;72(1):228.

PMID:
18534901
20.

Molecular structure, spectroscopic characterization (FT-IR, FT-Raman, UV and NMR), HOMO and LUMO analysis of 3-ethynylthiophene with DFT quantum chemical calculations.

Karabacak M, Bilgili S, Mavis T, Eskici M, Atac A.

Spectrochim Acta A Mol Biomol Spectrosc. 2013 Nov;115:709-18. doi: 10.1016/j.saa.2013.06.089. Epub 2013 Jul 3.

PMID:
23886506

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