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1 EXAFS analysis and DFT geometry optimization suggested p
2 EXAFS analysis demonstrates a considerably modified liga
3 EXAFS analysis of As in this precipitate reveals the pre
4 EXAFS analysis of spheroplast samples revealed that mult
5 EXAFS analysis of the NifX:NifB-co complex yields an ave
6 EXAFS analysis revealed that the precipitated U(VI) had
7 EXAFS analysis reveals arsenate phases in red mud sample
8 EXAFS and ATR-FTIR spectroscopies indicate that these ch
9 EXAFS and solution chemistry analyses of UO(2) solids re
10 EXAFS data fitting yielded a two-coordinate geometry, wi
11 EXAFS data recorded to k = 21 A(-1) indicates a 1:1 rati
12 EXAFS data show spectroscopic differences between Fe sor
13 EXAFS measurements indicate that Mn(II)PFOM and Mn(III)P
14 EXAFS provided complementary information on bidentate ed
15 EXAFS results give a longer Cu-S(Cys) bond distance in n
16 EXAFS spectra of 1-Co(II)-CcrA suggest 5/6-coordinate Co
17 EXAFS spectra of Co(II)Co(II)-CcrA also indicate 5/6 lig
18 EXAFS spectra suggested predominant formation of bidenta
19 EXAFS spectroscopy performed on 1.0.83PdCl(2) reveals th
20 EXAFS studies of the Mo coordination environment indicat
21 EXAFS studies show that the additional Zn(II) in the zin
22 is possible to a priori predict an accurate EXAFS spectrum provided that the underlying geometric st
26 apid kinetics and UV-vis, (1)H NMR, EPR, and EXAFS spectroscopic studies show that Co(II) binding to
28 ibosomes tightly bind 8 equiv of Zn(II), and EXAFS spectra indicate that Zn(II) may be protein-bound.
30 resonance Raman, EPR, ENDOR, Mossbauer, and EXAFS studies of [2Fe-2S] Grx3/4 homodimers and the [2Fe
32 2]2] is characterized by solid-state NMR and EXAFS spectroscopy, which show that secondary Lu...C and
46 rption spectroscopy to measure the XANES and EXAFS spectra of a dilute (submillimolar) solution of th
48 ption fine structure spectroscopy (XANES and EXAFS) and showed varying extents of U(VI) reduction to
49 dge X-ray absorption spectroscopy (XANES and EXAFS) showed a partial oxidation of magnetite to maghem
56 structure in solution could be determined by EXAFS analysis in combination with DFT calculations, whi
57 combination fitting, a P shell indicated by EXAFS, and the simultaneous enhancement of U(VI) and pho
60 centers of the single mutants as revealed by EXAFS was also similar to that of WT protein, with clear
61 ts by ascorbate, but here again, as shown by EXAFS and XANES spectroscopy, the coordination was depen
62 en bonding in the organic phase, as shown by EXAFS, mass spectrometry measurements, and computational
63 e sample reacted for 1 year at 70 degrees C, EXAFS analysis revealed clear evidence for approximately
64 rgest deviations between the FEFF calculated EXAFS spectra and the experimental EXAFS spectra arise f
73 fraction, electron diffraction and Zn-K-edge EXAFS data show that Ba2ZnO2Ag2Se2 contains unusual isol
80 Wavelet-transform analyses of the Fe K-edge EXAFS spectra of ferric arsenates complemented by shell
84 has been investigated using Cu and Fe K-edge EXAFS spectroscopy and density functional theory calcula
86 l titration calorimetry (ITC), and Cd K-edge EXAFS spectroscopy were applied to investigate the bindi
87 chniques including C and N NEXAFS, Fe K-edge EXAFS spectroscopy, and XRD were applied to provide addi
88 I is used to successfully fit its Fe K-edge EXAFS spectrum, which exhibits spectral signatures that
90 terized by UV-vis, EPR, (19)F NMR, Fe K-edge EXAFS, XANES, and Kbeta X-ray emission spectroscopy, ESI
93 binding to metallo-beta-lactamase CcrA, EPR, EXAFS, and (1)H NMR studies were conducted on CcrA conta
95 l be considered consistent with experimental EXAFS data and that caution must be exercised when using
101 y not only permits the proposal of the first EXAFS-based structural model of the isolated FeVco but a
102 ption onto ion-exchange resins, suitable for EXAFS analysis of Fe species in dilute stream water samp
103 ata demonstrate that Co(II) (and Zn(II) from EXAFS studies) is five-coordinate in VanX in contrast to
105 gs are corroborated by results obtained from EXAFS spectroscopy providing further evidence for a bide
109 y absorption fine structure spectroscopy (GI-EXAFS), grazing incidence X-ray diffraction (GI-XRD), an
110 Characterization of Hg-Al solids by bulk Hg EXAFS, electron microprobe, and microfocused-XRF mapping
113 th minimal energy drift of the difference in EXAFS from the Fe K edge in an iron-cobalt thin film und
114 Ab initio molecular dynamics (AIMD)-informed EXAFS analysis was employed to investigate the immobiliz
116 inate individual Al atoms, sets of ab initio EXAFS spectra for various T-sites are generated from DFT
117 in Co(II)-cyano species (S = 3/2), while IR, EXAFS, and EPR spectroscopies indicate [3](1-) to be an
120 hs obtained from analysis of the Cu and Se K-EXAFS of the oxidized protein were found to be 2.30 and
125 CN)(OH)(OOtBu)]2+ on the basis of Mossbauer, EXAFS, resonance Raman, NMR, and mass spectral evidence.
131 -EDX and linear combination fitting (LCF) of EXAFS data at the Zn K-edge, we show that Zn mainly occu
132 S data for SPM samples, using a large set of EXAFS spectra of Zn model compounds, indicates dramatic
133 eraction, which leads to a shorter (based on EXAFS results) and more covalent (based on S K-edge XAS)
134 ation in (almost) dry gas, while in operando EXAFS measurements reveal a gradual decrease in the Ru p
136 extended X-ray absorption fine structure or EXAFS), we investigated how Sr is incorporated within fi
138 associated with neoformed Al oxyhydroxides, EXAFS analysis of the calcite precipitates revealed only
140 tion spectroscopic data, including polarized EXAFS of oriented single crystals and isotropic EXAFS.
141 n and X-ray total-scattering data, potassium EXAFS, and diffuse-scattering patterns in electron diffr
142 h earlier FT-IR experiments, and the present EXAFS and NRVS observations for the wild-type enzyme.
145 re complex was confirmed supporting previous EXAFS findings.1 The obtained molecular structure allows
147 gths and weaknesses of using first-principle EXAFS calculations as a predictive tool are discussed.
149 nd uncertainty of traditional shell-by-shell EXAFS fitting, enabling the detailed characterization of
151 MR), extended X-ray absorption spectroscopy (EXAFS), powder X-ray diffraction (PXRD) and sorption stu
152 -ray absorption fine structure spectroscopy (EXAFS) and X-ray diffraction measurements also indicate
154 -ray absorption fine structure spectroscopy (EXAFS), high-resolution transmission electron microscopy
155 -ray Absorption Fine-Structure Spectroscopy (EXAFS), the formation of both bidentate binuclear corner
156 -ray absorption fine structure spectroscopy (EXAFS), the model could accurately predict porewater con
158 by extended X-ray absorption fine structure (EXAFS) analyses of solutions that reveal weak copper-cou
159 of extended X-ray absorption fine structure (EXAFS) analysis and (27)Al MAS NMR spectroscopy supporte
160 ge extended X-ray absorption fine structure (EXAFS) analysis and multifrequency pulse electron parama
161 nd extended X-ray absorption fine structure (EXAFS) analysis of a binary mixture of the octahedral Co
162 Extended X-ray absorption fine structure (EXAFS) analysis shows that the "effective" number of U(V
163 Extended x-ray absorption fine structure (EXAFS) analysis shows two O/N scatterers at 1.78 A and a
164 ge extended X-ray absorption fine structure (EXAFS) analysis suggested that the Sr was present as an
165 T) extended X-ray absorption fine structure (EXAFS) analysis, the systematic application of wavelet t
166 ge extended X-ray absorption fine structure (EXAFS) and (27)Al magic angle spinning (MAS) nuclear mag
167 ng extended X-ray absorption fine structure (EXAFS) and microfocused synchrotron X-ray fluorescence (
168 Extended X-ray absorption fine structure (EXAFS) and Mossbauer spectroscopy combined with macrosco
169 Extended X-ray absorption fine structure (EXAFS) and X-ray absorption near edge structure (XANES)
170 Extended X-ray absorption fine structure (EXAFS) data are best fit with oxygen/nitrogen ligands an
171 XANES), and X-ray absorption fine structure (EXAFS) data confirmed the characterization of the Re NPs
172 ed extended X-ray absorption fine structure (EXAFS) data demonstrate the reversible interconversion o
173 he extended X-ray absorption fine structure (EXAFS) data for AbetaCu(II) indicates that two of the li
174 of extended X-ray absorption fine structure (EXAFS) data have seen widespread use in bioinorganic che
175 of extended X-ray absorption fine structure (EXAFS) data imply that 62-100% (average: 82%) of solid-p
176 nd extended X-ray absorption fine structure (EXAFS) data indicated that the Tc(IV) was predominantly
177 of extended X-ray absorption fine structure (EXAFS) data using reference organic ligands demonstrated
178 to extended X-ray absorption fine structure (EXAFS) data, we show that the Sn does not randomly inser
179 Extended X-ray absorption fine structure (EXAFS) determined that Hg was principally bound to bioth
180 ge extended X-ray absorption fine structure (EXAFS) indicated that "autunite-type" sheets of meta-ank
181 ), extended X-ray absorption fine structure (EXAFS) measurements in combination with aberration corre
182 ry extended X-ray absorption fine structure (EXAFS) measurements of nanoscale Pt clusters supported o
183 ed extended x-ray absorption fine structure (EXAFS) measurements on PSII single crystals constrain th
184 nd extended X-ray absorption fine structure (EXAFS) methodology is here presented on a series of part
185 Extended X-ray absorption fine structure (EXAFS) simulations indicate the average Fe-O/N bond leng
186 Extended X-ray absorption fine structure (EXAFS) spectra indicate the presence of bis-oxo/hydroxo-
188 Extended X-ray absorption fine structure (EXAFS) spectra of these As-bearing pyrites are explained
189 ge extended X-ray absorption fine structure (EXAFS) spectra showed that U was coordinated to 1.3 +/-
190 nd extended x-ray absorption fine structure (EXAFS) spectroscopic studies were conducted on Co(II)-su
191 nd extended X-ray absorption fine structure (EXAFS) spectroscopies at the U LIII-edge and Fe K-edge.
192 nd extended X-ray absorption fine structure (EXAFS) spectroscopies, which are analogous to methods us
193 by extended X-ray absorption fine structure (EXAFS) spectroscopy [supported by Fourier transform infr
194 Extended X-ray absorption fine structure (EXAFS) spectroscopy and density functional theory (DFT)
195 by extended X-ray absorption fine structure (EXAFS) spectroscopy at pH 5, similar to what was observe
196 Extended X-ray absorption fine structure (EXAFS) spectroscopy at the Fe K-edge shows that Fh is th
198 ng extended X-ray absorption fine structure (EXAFS) spectroscopy constitutes a first step toward unde
199 ed extended X-ray absorption fine structure (EXAFS) spectroscopy has been used in several studies on
200 l, extended X-ray absorption fine structure (EXAFS) spectroscopy has been used to determine the Fe-O
201 Extended X-ray absorption fine structure (EXAFS) spectroscopy has been used to study short range o
202 lk extended X-ray absorption fine structure (EXAFS) spectroscopy identified phases including arsenios
203 ng extended X-ray absorption fine structure (EXAFS) spectroscopy on hematite particles (10 and 50 nm)
204 Extended X-ray absorption fine structure (EXAFS) spectroscopy reveals that the Zn(2+) bound to a P
205 ge extended X-ray absorption fine structure (EXAFS) spectroscopy showed that Hg(II) was indeed reduce
206 nd extended X-ray absorption fine structure (EXAFS) spectroscopy showed that the U(IV) phase associat
207 nd Extended X-ray Absorption Fine Structure (EXAFS) Spectroscopy to characterize the molecular enviro
208 ge extended X-ray absorption fine structure (EXAFS) spectroscopy together with (57)Fe nuclear resonan
209 nd extended X-ray absorption fine structure (EXAFS) spectroscopy were applied to elucidate competitiv
210 by extended X-ray absorption fine structure (EXAFS) spectroscopy yielded a Fe-Fe separation (d(Fe-Fe)
211 nd extended X-ray absorption fine structure (EXAFS) spectroscopy, and density-functional theory (DFT)
212 nd extended X-ray absorption fine structure (EXAFS) spectroscopy, we found the formation of Pd68Au32
213 ge extended X-ray absorption fine structure (EXAFS) spectroscopy, we have assigned unambiguously the
214 nd extended X-ray absorption fine structure (EXAFS) spectroscopy, were produced from initially aqueou
215 nd extended X-ray absorption fine structure (EXAFS) spectroscopy, with empirical potential structure
227 an extended X-ray absorption fine structure (EXAFS) spectrum characteristic of cluster formation, but
228 nd extended X-ray absorption fine structure (EXAFS) suggests that the collected Pu particle forms a "
230 nd extended X-ray absorption fine structure (EXAFS) were used to determine the local structure of As(
231 ng extended x-ray absorption fine structure (EXAFS), allowed us to monitor Mn-Mn and Ca(Sr)-Mn distan
233 ed extended X-ray absorption fine structure (EXAFS), diffuse reflectance infrared Fourier transform s
234 or extended X-ray absorption fine structure (EXAFS), it allows to quickly map the oxidation states of
235 nd extended X-ray absorption fine structure (EXAFS), we find that exposure to an ORR-relevant potenti
237 Extended X-ray absorption fine-structure (EXAFS) data from experiments conducted at different iron
238 of extended X-ray absorption fine-structure (EXAFS) measurements, which are oscillations occurring on
239 Extended X-ray absorption fine-structure (EXAFS) spectroscopy revealed a local structure in line w
255 ) are in a low ionic oxidation state and the EXAFS data strongly point to selenium located in a macki
257 ing-based approach to directly calculate the EXAFS spectrum of crystallographically defined model com
258 r Fe-S and Fe-Fe distances, constraining the EXAFS analysis and allowing structural disorder to be es
259 a H(2)-rich (C(2)H(4)/H(2) = 0.3) feed, the EXAFS spectra show the reformation of tetrairidium clust
264 Notable features obtained from fits of the EXAFS region are Fe-O bond lengths of 1.78 A for the alk
266 ions, allowing quantitative treatment of the EXAFS single- and multiple-photoelectron scattering proc
267 ol/K), and linear combination fitting of the EXAFS spectra for Cd adsorbed onto Mont-bacteria and Mon
269 quantified using linear combinations of the EXAFS spectra of precipitated U(VI) and phosphate-free a
270 to account for the statistical nature of the EXAFS technique, and discusses corrective strategies.
271 es PHM, but has only a minimal effect on the EXAFS spectrum of the oxidized enzyme, implying that it
274 ctural parameters extracted from fits to the EXAFS data of Co-Pi with two different thicknesses and c
277 e distance in our model of HQ as compared to EXAFS data obtained several years ago, for which we curr
279 pound II over the pH range of 3.9-9.5, using EXAFS, Mossbauer, and resonance Raman spectroscopies.
282 nd that caution must be exercised when using EXAFS data to obtain topological arrangements of complex
286 mapping and SEM-EDXS analyses combined with EXAFS analysis indicates that Al(3+) substitutes for Fe(
287 e structures allows a direct comparison with EXAFS data and with quantum chemical models of the oxidi
288 o different thicknesses and comparisons with EXAFS spectra of Co oxide compounds, a model is proposed
289 Investigation of the local structure with EXAFS reveals small differences between the U and Th env
290 roscopic and electrochemical methods--XANES, EXAFS, X-ray, (1)H NMR, EPR, Mossbauer, and cyclic volta
294 aracterized by means of NMR, ESI-MS, and XAS-EXAFS, and X-ray diffraction analyses on the representat
297 xtended X-ray absorption fine structure (XAS/EXAFS) spectra and reconstitution activities, firmly est
299 ncentrations of the intermediate would yield EXAFS data of improved quality, we applied our recently
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