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1 EXAFS analysis and density functional theory calculation
2 EXAFS analysis and DFT geometry optimization suggested p
3 EXAFS analysis demonstrates a considerably modified liga
4 EXAFS analysis of As in this precipitate reveals the pre
5 EXAFS analysis of spheroplast samples revealed that mult
6 EXAFS analysis of the NifX:NifB-co complex yields an ave
7 EXAFS analysis revealed that anglesite was the dominant
8 EXAFS analysis revealed that the precipitated U(VI) had
9 EXAFS analysis reveals arsenate phases in red mud sample
10 EXAFS and ATR-FTIR spectroscopies indicate that these ch
11 EXAFS and solution chemistry analyses of UO(2) solids re
12 EXAFS data fitting of both contaminated organs in vivo a
13 EXAFS data fitting yielded a two-coordinate geometry, wi
14 EXAFS data recorded to k = 21 A(-1) indicates a 1:1 rati
15 EXAFS data show spectroscopic differences between Fe sor
16 EXAFS measurements indicate that Mn(II)PFOM and Mn(III)P
17 EXAFS of the column samples shows that more than 72% of
18 EXAFS provided complementary information on bidentate ed
19 EXAFS spectra of 1-Co(II)-CcrA suggest 5/6-coordinate Co
20 EXAFS spectra suggested predominant formation of bidenta
21 EXAFS spectroscopy performed on 1.0.83PdCl(2) reveals th
22 EXAFS studies of the Mo coordination environment indicat
23 EXAFS studies show that the additional Zn(II) in the zin
24 is possible to a priori predict an accurate EXAFS spectrum provided that the underlying geometric st
28 apid kinetics and UV-vis, (1)H NMR, EPR, and EXAFS spectroscopic studies show that Co(II) binding to
30 ibosomes tightly bind 8 equiv of Zn(II), and EXAFS spectra indicate that Zn(II) may be protein-bound.
32 resonance Raman, EPR, ENDOR, Mossbauer, and EXAFS studies of [2Fe-2S] Grx3/4 homodimers and the [2Fe
34 2]2] is characterized by solid-state NMR and EXAFS spectroscopy, which show that secondary Lu...C and
44 acid (HA)-I systems using I K-edge XANES and EXAFS and C K-edge XANES spectroscopy: (1) I(-) in the p
47 rption spectroscopy to measure the XANES and EXAFS spectra of a dilute (submillimolar) solution of th
49 y X-ray absorption spectroscopies (XANES and EXAFS) and diffuse reflectance UV-Vis spectroscopy, with
50 ption fine structure spectroscopy (XANES and EXAFS) and showed varying extents of U(VI) reduction to
51 dge X-ray absorption spectroscopy (XANES and EXAFS) showed a partial oxidation of magnetite to maghem
54 is, EPR, CSI-MS, resonance Raman, XANES, and EXAFS, showing an Mn-O bond distance of 1.69 angstrom wi
55 ts emphasize the utility of Se HERFD XAS and EXAFS for selectively probing the local electronic and g
61 structure in solution could be determined by EXAFS analysis in combination with DFT calculations, whi
62 combination fitting, a P shell indicated by EXAFS, and the simultaneous enhancement of U(VI) and pho
65 ts by ascorbate, but here again, as shown by EXAFS and XANES spectroscopy, the coordination was depen
66 en bonding in the organic phase, as shown by EXAFS, mass spectrometry measurements, and computational
67 e sample reacted for 1 year at 70 degrees C, EXAFS analysis revealed clear evidence for approximately
68 rgest deviations between the FEFF calculated EXAFS spectra and the experimental EXAFS spectra arise f
77 fraction, electron diffraction and Zn-K-edge EXAFS data show that Ba2ZnO2Ag2Se2 contains unusual isol
82 Wavelet-transform analyses of the Fe K-edge EXAFS spectra of ferric arsenates complemented by shell
87 l titration calorimetry (ITC), and Cd K-edge EXAFS spectroscopy were applied to investigate the bindi
88 chniques including C and N NEXAFS, Fe K-edge EXAFS spectroscopy, and XRD were applied to provide addi
89 I is used to successfully fit its Fe K-edge EXAFS spectrum, which exhibits spectral signatures that
91 terized by UV-vis, EPR, (19)F NMR, Fe K-edge EXAFS, XANES, and Kbeta X-ray emission spectroscopy, ESI
94 binding to metallo-beta-lactamase CcrA, EPR, EXAFS, and (1)H NMR studies were conducted on CcrA conta
96 l be considered consistent with experimental EXAFS data and that caution must be exercised when using
97 We show through bulk (selective extractions, EXAFS) and nanoscale analysis (correlative SEM and nanoS
100 variety of spectroscopic (XRF imaging and Fe EXAFS) and microscopic (SEM and confocal) techniques.
104 y not only permits the proposal of the first EXAFS-based structural model of the isolated FeVco but a
105 ption onto ion-exchange resins, suitable for EXAFS analysis of Fe species in dilute stream water samp
107 gs are corroborated by results obtained from EXAFS spectroscopy providing further evidence for a bide
111 y absorption fine structure spectroscopy (GI-EXAFS), grazing incidence X-ray diffraction (GI-XRD), an
112 Characterization of Hg-Al solids by bulk Hg EXAFS, electron microprobe, and microfocused-XRF mapping
115 Ab initio molecular dynamics (AIMD)-informed EXAFS analysis was employed to investigate the immobiliz
117 inate individual Al atoms, sets of ab initio EXAFS spectra for various T-sites are generated from DFT
118 in Co(II)-cyano species (S = 3/2), while IR, EXAFS, and EPR spectroscopies indicate [3](1-) to be an
129 -EDX and linear combination fitting (LCF) of EXAFS data at the Zn K-edge, we show that Zn mainly occu
130 S data for SPM samples, using a large set of EXAFS spectra of Zn model compounds, indicates dramatic
131 combination fitting and wavelet transform of EXAFS data revealed noticeable differences between uname
132 ation in (almost) dry gas, while in operando EXAFS measurements reveal a gradual decrease in the Ru p
134 extended X-ray absorption fine structure or EXAFS), we investigated how Sr is incorporated within fi
136 associated with neoformed Al oxyhydroxides, EXAFS analysis of the calcite precipitates revealed only
138 tion spectroscopic data, including polarized EXAFS of oriented single crystals and isotropic EXAFS.
139 n and X-ray total-scattering data, potassium EXAFS, and diffuse-scattering patterns in electron diffr
140 h earlier FT-IR experiments, and the present EXAFS and NRVS observations for the wild-type enzyme.
143 re complex was confirmed supporting previous EXAFS findings.1 The obtained molecular structure allows
145 gths and weaknesses of using first-principle EXAFS calculations as a predictive tool are discussed.
147 nd uncertainty of traditional shell-by-shell EXAFS fitting, enabling the detailed characterization of
149 MR), extended X-ray absorption spectroscopy (EXAFS), powder X-ray diffraction (PXRD) and sorption stu
150 -ray absorption fine structure spectroscopy (EXAFS) and X-ray diffraction measurements also indicate
152 -ray absorption fine structure spectroscopy (EXAFS), high-resolution transmission electron microscopy
153 -ray absorption fine structure spectroscopy (EXAFS), that diminishes the reactivity of Rh complexes o
154 -ray Absorption Fine-Structure Spectroscopy (EXAFS), the formation of both bidentate binuclear corner
155 -ray absorption fine structure spectroscopy (EXAFS), the model could accurately predict porewater con
157 of extended X-ray absorption fine structure (EXAFS) analysis and (27)Al MAS NMR spectroscopy supporte
158 ge extended X-ray absorption fine structure (EXAFS) analysis and multifrequency pulse electron parama
159 Extended X-ray absorption fine structure (EXAFS) analysis confirms that Co atoms occupy Mo positio
160 nd extended X-ray absorption fine structure (EXAFS) analysis of a binary mixture of the octahedral Co
161 Extended X-ray absorption fine structure (EXAFS) analysis shows that the "effective" number of U(V
162 Extended x-ray absorption fine structure (EXAFS) analysis shows two O/N scatterers at 1.78 A and a
163 ge extended X-ray absorption fine structure (EXAFS) analysis suggested that the Sr was present as an
164 T) extended X-ray absorption fine structure (EXAFS) analysis, the systematic application of wavelet t
165 ge extended X-ray absorption fine structure (EXAFS) and (27)Al magic angle spinning (MAS) nuclear mag
166 ng extended X-ray absorption fine structure (EXAFS) and microfocused synchrotron X-ray fluorescence (
167 Extended X-ray absorption fine structure (EXAFS) and Mossbauer spectroscopy combined with macrosco
168 Extended X-ray absorption fine structure (EXAFS) and PDF analyses show that Y is retained by basal
169 ia extended X-ray absorption fine structure (EXAFS) and X-ray absorption near edge structures (XANES)
170 Extended X-ray absorption fine structure (EXAFS) data are best fit with oxygen/nitrogen ligands an
171 nd extended X-ray absorption fine structure (EXAFS) data can one truly determine the de facto As bind
172 XANES), and X-ray absorption fine structure (EXAFS) data confirmed the characterization of the Re NPs
173 ed extended X-ray absorption fine structure (EXAFS) data demonstrate the reversible interconversion o
174 he extended X-ray absorption fine structure (EXAFS) data for AbetaCu(II) indicates that two of the li
175 of extended X-ray absorption fine structure (EXAFS) data have seen widespread use in bioinorganic che
176 of extended X-ray absorption fine structure (EXAFS) data imply that 62-100% (average: 82%) of solid-p
177 nd extended X-ray absorption fine structure (EXAFS) data indicated that the Tc(IV) was predominantly
178 of extended X-ray absorption fine structure (EXAFS) data using reference organic ligands demonstrated
180 Extended X-ray absorption fine structure (EXAFS) determined that Hg was principally bound to bioth
181 ge extended X-ray absorption fine structure (EXAFS) indicated that "autunite-type" sheets of meta-ank
182 ), extended X-ray absorption fine structure (EXAFS) measurements in combination with aberration corre
183 ry extended X-ray absorption fine structure (EXAFS) measurements of nanoscale Pt clusters supported o
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) modeling showed that a persulfide ligand was coor
186 Extended X-ray absorption fine structure (EXAFS) simulations indicate the average Fe-O/N bond leng
187 Extended X-ray absorption fine structure (EXAFS) spectra indicate the presence of bis-oxo/hydroxo-
189 Extended X-ray absorption fine structure (EXAFS) spectra of these As-bearing pyrites are explained
190 ge extended X-ray absorption fine structure (EXAFS) spectra showed that U was coordinated to 1.3 +/-
192 ge extended X-ray absorption fine structure (EXAFS) spectroscopic information, combined with competit
193 nd extended X-ray absorption fine structure (EXAFS) spectroscopies at the U LIII-edge and Fe K-edge.
194 by extended X-ray absorption fine structure (EXAFS) spectroscopy [supported by Fourier transform infr
195 Extended X-ray absorption fine structure (EXAFS) spectroscopy and density functional theory (DFT)
196 by extended X-ray absorption fine structure (EXAFS) spectroscopy at pH 5, similar to what was observe
197 Extended X-ray absorption fine structure (EXAFS) spectroscopy at the Fe K-edge shows that Fh is th
199 ng extended X-ray absorption fine structure (EXAFS) spectroscopy constitutes a first step toward unde
200 ed extended X-ray absorption fine structure (EXAFS) spectroscopy has been used in several studies on
201 l, extended X-ray absorption fine structure (EXAFS) spectroscopy has been used to determine the Fe-O
202 Extended X-ray absorption fine structure (EXAFS) spectroscopy has been used to study short range o
203 lk extended X-ray absorption fine structure (EXAFS) spectroscopy identified phases including arsenios
204 ng extended X-ray absorption fine structure (EXAFS) spectroscopy on hematite particles (10 and 50 nm)
205 Extended X-ray absorption fine structure (EXAFS) spectroscopy reveals that the Zn(2+) bound to a P
206 ge extended X-ray absorption fine structure (EXAFS) spectroscopy showed that Hg(II) was indeed reduce
207 nd extended X-ray absorption fine structure (EXAFS) spectroscopy showed that the U(IV) phase associat
208 nd Extended X-ray Absorption Fine Structure (EXAFS) Spectroscopy to characterize the molecular enviro
209 ge extended X-ray absorption fine structure (EXAFS) spectroscopy together with (57)Fe nuclear resonan
210 nd extended X-ray absorption fine structure (EXAFS) spectroscopy were applied to elucidate competitiv
211 by extended X-ray absorption fine structure (EXAFS) spectroscopy yielded a Fe-Fe separation (d(Fe-Fe)
212 nd extended X-ray absorption fine structure (EXAFS) spectroscopy, and density-functional theory (DFT)
213 3) extended X-ray absorption fine structure (EXAFS) spectroscopy, and transmission electron microscop
214 nd extended X-ray absorption fine structure (EXAFS) spectroscopy, we found the formation of Pd68Au32
215 nd extended X-ray absorption fine structure (EXAFS) spectroscopy, were produced from initially aqueou
216 nd extended X-ray absorption fine structure (EXAFS) spectroscopy, with empirical potential structure
230 nd extended X-ray absorption fine structure (EXAFS) suggests that the collected Pu particle forms a "
232 nd extended X-ray absorption fine structure (EXAFS) were used to determine the local structure of As(
233 ng extended x-ray absorption fine structure (EXAFS), allowed us to monitor Mn-Mn and Ca(Sr)-Mn distan
235 ed extended X-ray absorption fine structure (EXAFS), diffuse reflectance infrared Fourier transform s
236 or extended X-ray absorption fine structure (EXAFS), it allows to quickly map the oxidation states of
237 nd extended X-ray absorption fine structure (EXAFS), we find that exposure to an ORR-relevant potenti
239 ge extended X-ray absorption fine structure (EXAFS); resonant soft X-ray scattering (R-SoXS); ultravi
240 Extended X-ray absorption fine-structure (EXAFS) data from experiments conducted at different iron
241 Extended X-ray absorption fine-structure (EXAFS) spectroscopy revealed a local structure in line w
256 ) are in a low ionic oxidation state and the EXAFS data strongly point to selenium located in a macki
258 ing-based approach to directly calculate the EXAFS spectrum of crystallographically defined model com
259 r Fe-S and Fe-Fe distances, constraining the EXAFS analysis and allowing structural disorder to be es
260 a H(2)-rich (C(2)H(4)/H(2) = 0.3) feed, the EXAFS spectra show the reformation of tetrairidium clust
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
268 quantified using linear combinations of the EXAFS spectra of precipitated U(VI) and phosphate-free a
269 to account for the statistical nature of the EXAFS technique, and discusses corrective strategies.
272 ctural parameters extracted from fits to the EXAFS data of Co-Pi with two different thicknesses and c
275 e distance in our model of HQ as compared to EXAFS data obtained several years ago, for which we curr
277 pound II over the pH range of 3.9-9.5, using EXAFS, Mossbauer, and resonance Raman spectroscopies.
281 nd that caution must be exercised when using EXAFS data to obtain topological arrangements of complex
285 mapping and SEM-EDXS analyses combined with EXAFS analysis indicates that Al(3+) substitutes for Fe(
286 o different thicknesses and comparisons with EXAFS spectra of Co oxide compounds, a model is proposed
287 Investigation of the local structure with EXAFS reveals small differences between the U and Th env
288 Characterization by TGA, FTIR, EDX, XANES, EXAFS, and EQCM collectively provides unequivocal eviden
289 roscopic and electrochemical methods--XANES, EXAFS, X-ray, (1)H NMR, EPR, Mossbauer, and cyclic volta
291 fraction techniques, including Raman, XANES, EXAFS, and PDF, reveal 6 to have similarities with relat
294 with time on stream (TOS) followed by XANES-EXAFS-XRD associates the activation stage with a minor d
295 aracterized by means of NMR, ESI-MS, and XAS-EXAFS, and X-ray diffraction analyses on the representat
298 xtended X-ray absorption fine structure (XAS/EXAFS) spectra and reconstitution activities, firmly est
300 ncentrations of the intermediate would yield EXAFS data of improved quality, we applied our recently