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Items: 1 to 20 of 101

1.

Quantitative vibrational dynamics of the metal site in a tin porphyrin: an IR, NRVS, and DFT study.

Leu BM, Zgierski MZ, Bischoff C, Li M, Hu MY, Zhao J, Martin SW, Alp EE, Scheidt WR.

Inorg Chem. 2013 Sep 3;52(17):9948-53. doi: 10.1021/ic401152b. Epub 2013 Aug 20. Erratum in: Inorg Chem. 2014 Feb 3;53(3):1788.

2.

Nuclear resonance vibrational spectroscopy applied to [Fe(OEP)(NO)]: the vibrational assignments of five-coordinate ferrous heme-nitrosyls and implications for electronic structure.

Lehnert N, Galinato MG, Paulat F, Richter-Addo GB, Sturhahn W, Xu N, Zhao J.

Inorg Chem. 2010 May 3;49(9):4133-48. doi: 10.1021/ic902181e.

3.

Oriented single-crystal nuclear resonance vibrational spectroscopy of [Fe(TPP)(MI)(NO)]: quantitative assessment of the trans effect of NO.

Lehnert N, Sage JT, Silvernail N, Scheidt WR, Alp EE, Sturhahn W, Zhao J.

Inorg Chem. 2010 Aug 2;49(15):7197-215. doi: 10.1021/ic1010677.

4.
5.

Spectroscopic identification of reactive porphyrin motions.

Barabanschikov A, Demidov A, Kubo M, Champion PM, Sage JT, Zhao J, Sturhahn W, Alp EE.

J Chem Phys. 2011 Jul 7;135(1):015101. doi: 10.1063/1.3598473.

6.

Characterization of the Fe site in iron-sulfur cluster-free hydrogenase (Hmd) and of a model compound via nuclear resonance vibrational spectroscopy (NRVS).

Guo Y, Wang H, Xiao Y, Vogt S, Thauer RK, Shima S, Volkers PI, Rauchfuss TB, Pelmenschikov V, Case DA, Alp EE, Sturhahn W, Yoda Y, Cramer SP.

Inorg Chem. 2008 May 19;47(10):3969-77. doi: 10.1021/ic701251j. Epub 2008 Apr 12.

7.

Complex formation of Sn(II) with glycine: an IR, DTA/TGA and DFT investigation.

Novikova GV, Petrov AI, Staloverova NA, Samoilo AS, Dergachev ID, Shubin AA.

Spectrochim Acta A Mol Biomol Spectrosc. 2015 Jan 25;135:491-7. doi: 10.1016/j.saa.2014.07.060. Epub 2014 Jul 27.

PMID:
25123937
8.

Axial ligand effects on vibrational dynamics of iron in heme carbonyl studied by nuclear resonance vibrational spectroscopy.

Ohta T, Liu JG, Saito M, Kobayashi Y, Yoda Y, Seto M, Naruta Y.

J Phys Chem B. 2012 Nov 29;116(47):13831-8. doi: 10.1021/jp304398g. Epub 2012 Nov 14.

PMID:
23072485
9.

Direct determination of the complete set of iron normal modes in a porphyrin-imidazole model for carbonmonoxy-heme proteins: [Fe(TPP)(CO)(1-MeIm)].

Rai BK, Durbin SM, Prohofsky EW, Sage JT, Ellison MK, Roth A, Scheidt WR, Sturhahn W, Alp EE.

J Am Chem Soc. 2003 Jun 11;125(23):6927-36.

PMID:
12783545
10.

Quantitative vibrational dynamics of iron in carbonyl porphyrins.

Leu BM, Silvernail NJ, Zgierski MZ, Wyllie GR, Ellison MK, Scheidt WR, Zhao J, Sturhahn W, Alp EE, Sage JT.

Biophys J. 2007 Jun 1;92(11):3764-83. Epub 2007 Mar 9.

11.

Quantitative vibrational dynamics of iron in nitrosyl porphyrins.

Leu BM, Zgierski MZ, Wyllie GR, Scheidt WR, Sturhahn W, Alp EE, Durbin SM, Sage JT.

J Am Chem Soc. 2004 Apr 7;126(13):4211-27.

12.

Dynamics of Rhodobacter capsulatus [2FE-2S] ferredoxin VI and Aquifex aeolicus ferredoxin 5 via nuclear resonance vibrational spectroscopy (NRVS) and resonance Raman spectroscopy.

Xiao Y, Tan ML, Ichiye T, Wang H, Guo Y, Smith MC, Meyer J, Sturhahn W, Alp EE, Zhao J, Yoda Y, Cramer SP.

Biochemistry. 2008 Jun 24;47(25):6612-27. doi: 10.1021/bi701433m.

PMID:
18512953
13.

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
14.

Vibrational dynamics (IR, Raman, NRVS) and a DFT study of a new antitumor tetranuclearstannoxane cluster, Sn(iv)-oxo-{di-o-vanillin} dimethyl dichloride.

Arjmand F, Sharma S, Usman M, Leu BM, Hu MY, Toupet L, Gosztola D, Tabassum S.

Phys Chem Chem Phys. 2016 Jul 21;18(27):17805-9. doi: 10.1039/c6cp02914k. Epub 2016 Jun 21.

PMID:
27328161
15.

Complex formation of Sn(II) with L-cysteine: an IR, DTA/TGA and DFT investigation.

Novikova GV, Petrov AI, Staloverova NA, Shubin AA, Dergachev ID.

Spectrochim Acta A Mol Biomol Spectrosc. 2014 Mar 25;122:565-70. doi: 10.1016/j.saa.2013.11.048. Epub 2013 Nov 21.

PMID:
24334020
16.

Electronic structure and dynamics of nitrosyl porphyrins.

Scheidt WR, Barabanschikov A, Pavlik JW, Silvernail NJ, Sage JT.

Inorg Chem. 2010 Jul 19;49(14):6240-52. doi: 10.1021/ic100261b.

17.

Nuclear resonance vibrational spectroscopy--NRVS.

Scheidt WR, Durbin SM, Sage JT.

J Inorg Biochem. 2005 Jan;99(1):60-71. Review.

PMID:
15598492
18.
19.

FT-IR and Raman spectra, ab initio and density functional computations of the vibrational spectra, molecular geometries and atomic charges of uracil and 5-methyluracil (thymine).

Singh JS.

Spectrochim Acta A Mol Biomol Spectrosc. 2015 Feb 25;137:625-40. doi: 10.1016/j.saa.2014.08.060. Epub 2014 Sep 8.

PMID:
25244296
20.

A Sn(IV)-porphyrin-based metal-organic framework for the selective photo-oxygenation of phenol and sulfides.

Xie MH, Yang XL, Zou C, Wu CD.

Inorg Chem. 2011 Jun 20;50(12):5318-20. doi: 10.1021/ic200295h. Epub 2011 May 13.

PMID:
21568275

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