Literature DB >> 16714814

XFIT - an Interactive EXAFSAnalysis Program.

P J Ellis, H C Freeman.   

Abstract

XFIT is an interactive and user-friendly program for the analysis of X-ray absorption fine structure (XAFS, EXAFS) curves. XFIT incorporates in a single package a number of features available in other existing programs: ab initio EXAFS calculation (using FEFF4.06/6.01), empirical EXAFS calculation (as in XFPAKG), allowance for polarization, use of Fourier filtering, and the application of constraints and restraints. Additional features not previously available are: simultaneous refinement with respect to several data sets, simultaneous refinement of several absorber sites, and Monte-Carlo error analysis. Applications including the analysis of EXAFS data from mixtures and the analysis of DAFS (diffraction anomalous fine structure) data are indicated.

Year:  1995        PMID： 16714814     DOI： 10.1107/S0909049595006789

Source DB:  PubMed          Journal:  J Synchrotron Radiat        ISSN： 0909-0495            Impact factor:   2.616


  14 in total

1.  Nitrogenase reactivity with P-cluster variants.

Authors:  Yilin Hu; Mary C Corbett; Aaron W Fay; Jerome A Webber; Britt Hedman; Keith O Hodgson; Markus W Ribbe
Journal:  Proc Natl Acad Sci U S A       Date:  2005-09-15       Impact factor: 11.205

2.  Structural insights into a protein-bound iron-molybdenum cofactor precursor.

Authors:  Mary C Corbett; Yilin Hu; Aaron W Fay; Markus W Ribbe; Britt Hedman; Keith O Hodgson
Journal:  Proc Natl Acad Sci U S A       Date:  2006-01-19       Impact factor: 11.205

3.  Binding of chromium(VI) to histones: implications for chromium(VI)-induced genotoxicity.

Authors:  Aviva Levina; Hugh H Harris; Peter A Lay
Journal:  J Biol Inorg Chem       Date:  2005-12-15       Impact factor: 3.358

4.  Spectroscopic and DFT investigation of [M{HB(3,5-iPr2pz)3}(SC6F5)] (M = Mn, Fe, Co, Ni, Cu, and Zn) model complexes: periodic trends in metal-thiolate bonding.

Authors:  Serge I Gorelsky; Lipika Basumallick; Josh Vura-Weis; Ritimukta Sarangi; Keith O Hodgson; Britt Hedman; Kiyoshi Fujisawa; Edward I Solomon
Journal:  Inorg Chem       Date:  2005-07-11       Impact factor: 5.165

5.  Nitrogenase Fe protein: A molybdate/homocitrate insertase.

Authors:  Yilin Hu; Mary C Corbett; Aaron W Fay; Jerome A Webber; Keith O Hodgson; Britt Hedman; Markus W Ribbe
Journal:  Proc Natl Acad Sci U S A       Date:  2006-10-24       Impact factor: 11.205

6.  High-resolution analysis of Zn(2+) coordination in the alkaline phosphatase superfamily by EXAFS and x-ray crystallography.

Authors:  Elena Bobyr; Jonathan K Lassila; Helen I Wiersma-Koch; Timothy D Fenn; Jason J Lee; Ivana Nikolic-Hughes; Keith O Hodgson; Douglas C Rees; Britt Hedman; Daniel Herschlag
Journal:  J Mol Biol       Date:  2011-10-28       Impact factor: 5.469

7.  X-ray absorption edge spectroscopy and computational studies on LCuO2 species: Superoxide-Cu(II) versus peroxide-Cu(III) bonding.

Authors:  Ritimukta Sarangi; Nermeen Aboelella; Kiyoshi Fujisawa; William B Tolman; Britt Hedman; Keith O Hodgson; Edward I Solomon
Journal:  J Am Chem Soc       Date:  2006-06-28       Impact factor: 15.419

8.  Spectroscopic definition of the biferrous and biferric sites in de novo designed four-helix bundle DFsc peptides: implications for O2 reactivity of binuclear non-heme iron enzymes.

Authors:  Caleb B Bell; Jennifer R Calhoun; Elena Bobyr; Pin-Pin Wei; Britt Hedman; Keith O Hodgson; William F Degrado; Edward I Solomon
Journal:  Biochemistry       Date:  2009-01-13       Impact factor: 3.162

9.  Iron complexes of dendrimer-appended carboxylates for activating dioxygen and oxidizing hydrocarbons.

Authors:  Min Zhao; Brett Helms; Elena Slonkina; Simone Friedle; Dongwhan Lee; Jennifer Dubois; Britt Hedman; Keith O Hodgson; Jean M J Fréchet; Stephen J Lippard
Journal:  J Am Chem Soc       Date:  2008-03-11       Impact factor: 15.419

10.  Bis(μ-oxo) dicopper(III) species of the simplest peralkylated diamine: enhanced reactivity toward exogenous substrates.

Authors:  Peng Kang; Elena Bobyr; John Dustman; Keith O Hodgson; Britt Hedman; Edward I Solomon; T Daniel P Stack
Journal:  Inorg Chem       Date:  2010-10-28       Impact factor: 5.165
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