Format
Sort by
Items per page

Send to

Choose Destination

Links from PubMed

Items: 1 to 20 of 393

1.

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
2.

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
3.

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
4.

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
5.
6.
7.

Zinc-zinc bonded zincocene structures. Synthesis and characterization of Zn2(eta5-C5Me5)2 and Zn2(eta5-C5Me4Et)2.

Grirrane A, Resa I, Rodriguez A, Carmona E, Alvarez E, Gutierrez-Puebla E, Monge A, Galindo A, del Río D, Andersen RA.

J Am Chem Soc. 2007 Jan 24;129(3):693-703. Erratum in: J Am Chem Soc. 2007 Nov 14;129(45):14100.

PMID:
17227033
8.

Density functional theory studies on the Raman and IR spectra of meso-tetraphenylporphyrin diacid.

Xu LC, Li ZY, Tan W, He TJ, Liu FC, Chen DM.

Spectrochim Acta A Mol Biomol Spectrosc. 2005 Dec;62(4-5):850-62. Epub 2005 Apr 15.

PMID:
16303631
9.

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
10.
11.

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
12.
13.

FT-IR, FT-Raman spectra and quantum chemical calculations of some chloro substituted phenoxy acetic acids.

Sundaraganesan N, Meganathan C, Karthikeyan B.

Spectrochim Acta A Mol Biomol Spectrosc. 2008 Jul;70(2):430-8. doi: 10.1016/j.saa.2007.12.022. Epub 2007 Dec 31.

PMID:
18282793
14.

Vibrational spectra and structures of the anions of urazole and 4-methylurazole: DFT calculations of the normal modes and the influence of hydrogen bonding.

Ryall JP, Dines TJ, Chowdhry BZ, Leharne SA, Withnall R.

Spectrochim Acta A Mol Biomol Spectrosc. 2011 Mar;78(3):918-25. doi: 10.1016/j.saa.2010.10.028. Epub 2010 Nov 5.

PMID:
21257341
15.

DFT simulations and vibrational analysis of FT-IR and FT-Raman spectra of 2,4-diamino-6-hydroxypyrimidine.

Subramanian MK, Anbarasan PM, Manimegalai S.

Spectrochim Acta A Mol Biomol Spectrosc. 2009 Aug 15;73(4):642-9. doi: 10.1016/j.saa.2009.03.006. Epub 2009 Mar 26.

PMID:
19406685
16.

Revised vibrational band assignments for the experimental IR and Raman spectra of 2,3,4-trifluorobenzonitrile based on ab initio, DFT and normal coordinate calculations.

Hiremath CS, Kalkoti GB, Aralakkanavar MK.

Spectrochim Acta A Mol Biomol Spectrosc. 2009 Sep 15;74(1):200-4. doi: 10.1016/j.saa.2009.06.001. Epub 2009 Jun 11.

PMID:
19560961
17.

Combined experimental studies and theoretical calculations to yield the complete molecular structure and vibrational spectra of (CH3)3GeH.

Roldán ML, Brandán SA, Masters Née Hinchley SL, Wann DA, Robertson HE, Rankin DW, Altabef AB.

J Phys Chem A. 2009 Apr 30;113(17):5195-204. doi: 10.1021/jp810988s.

PMID:
19298067
18.

Structure and vibrational frequencies of 1-naphthaldehyde based on density functional theory calculations.

Krishnakumar V, Prabavathi N, Muthunatesan S.

Spectrochim Acta A Mol Biomol Spectrosc. 2008 Feb;69(2):528-33. Epub 2007 May 3.

PMID:
17553736
19.

Density functional theory studies on tautomeric stability and infrared and Raman spectra of some purine derivatives.

Krishnakumar V, Dheivamalar S.

Spectrochim Acta A Mol Biomol Spectrosc. 2007 Nov;68(3):823-32. Epub 2007 Jan 12.

PMID:
17433766
20.

Inelastic neutron scattering spectra of free base and zinc porphines: a comparison with DFT-based vibrational analysis.

Verdal N, Kozlowski PM, Hudson BS.

J Phys Chem A. 2005 Jun 30;109(25):5724-33.

PMID:
16833905

Supplemental Content

Support Center