Glycerol-Modified Binary Layered Double Hydroxide Nanocomposites for Uranium Immobilization via Extended X-ray Absorption Fine Structure Technique and Density Functional Theory Calculation

Fine Structure ◽

Layered Double Hydroxide ◽

Density Functional ◽

Functional Theory ◽

X Ray ◽

Double Hydroxide ◽

Theory Calculation ◽

Density Functional Theory Calculation and X-ray Absorption Spectroscopy Studies of Structure of Vanadium-Containing Aluminophosphate VAPO-5

The Journal of Physical Chemistry B ◽

10.1021/jp993981e ◽

2000 ◽

Vol 104 (17) ◽

pp. 4195-4203 ◽

Cited By ~ 10

Author(s):

H. Y. Cheng ◽

E. Yang ◽

C. J. Lai ◽

K. J. Chao ◽

A. C. Wei ◽

...

Keyword(s):

Absorption Spectroscopy ◽

Density Functional ◽

Functional Theory ◽

X Ray ◽

Spectroscopy Studies ◽

Theory Calculation ◽

Microscopic Insights into Extraction Mechanism of Copper(II) in Ammoniacal Solutions Studied by X-ray Absorption Spectroscopy and Density Functional Theory Calculation

The Journal of Physical Chemistry A ◽

10.1021/jp404768e ◽

2013 ◽

Vol 117 (47) ◽

pp. 12280-12287 ◽

Cited By ~ 10

Author(s):

Jiugang Hu ◽

Qiyuan Chen ◽

Huiping Hu ◽

Zheng Jiang ◽

Duo Wang ◽

...

Keyword(s):

Absorption Spectroscopy ◽

Density Functional ◽

Functional Theory ◽

Extraction Mechanism ◽

X Ray ◽

Theory Calculation ◽

Corrosion-induced microstructure degradation of copper in sulfide-containing simulated anoxic groundwater studied by synchrotron high-energy X-ray diffraction and ab-initio density functional theory calculation

Corrosion Science ◽

10.1016/j.corsci.2021.109390 ◽

2021 ◽

Vol 184 ◽

pp. 109390

Author(s):

Fan Zhang ◽

Cem Örnek ◽

Min Liu ◽

Timo Müller ◽

Ulrich Lienert ◽

...

Keyword(s):

Ab Initio ◽

Density Functional ◽

High Energy ◽

X Ray Diffraction ◽

Functional Theory ◽

X Ray ◽

Theory Calculation

Time dependent density functional theory study of the near-edge x-ray absorption fine structure of benzene in gas phase and on metal surfaces

The Journal of Chemical Physics ◽

10.1063/1.2967190 ◽

2008 ◽

Vol 129 (6) ◽

pp. 064705 ◽

Cited By ~ 22

Author(s):

Frans A. Asmuruf ◽

Nicholas A. Besley

Keyword(s):

Fine Structure ◽

Gas Phase ◽

Density Functional ◽

Time Dependent ◽

Density Functional Theory Study ◽

Functional Theory ◽

X Ray ◽

X Ray Absorption ◽

Dependent Density

Predictions of Pre-edge Features in Time-Resolved Near-Edge X-ray Absorption Fine Structure Spectroscopy from Hole–Hole Tamm–Dancoff-Approximated Density Functional Theory

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.1c00478 ◽

2021 ◽

Author(s):

Edward G. Hohenstein ◽

Jimmy K. Yu ◽

Christoph Bannwarth ◽

Nanna Holmgaard List ◽

Alexander C. Paul ◽

...

Keyword(s):

Fine Structure ◽

Density Functional ◽

Functional Theory ◽

Time Resolved ◽

X Ray ◽

Absorption Fine ◽

Edge Features ◽

The near-edge X-ray-absorption fine-structure of O2 chemisorbed on Ag(110) surface studied by density functional theory

Surface Science ◽

10.1016/j.susc.2013.06.013 ◽

2013 ◽

Vol 616 ◽

pp. 178-185 ◽

Cited By ~ 3

Author(s):

Oscar Baseggio ◽

Michele Romeo ◽

Giovanna Fronzoni ◽

Mauro Stener

Keyword(s):

Fine Structure ◽

Density Functional ◽

Functional Theory ◽

X Ray ◽

Absorption Fine ◽

Density functional theory study of the near edge X-ray absorption fine structure and infrared spectroscopy of acetylene and benzene on group IV semiconductor surfaces

Surface Science ◽

10.1016/j.susc.2008.10.043 ◽

2009 ◽

Vol 603 (1) ◽

pp. 158-164 ◽

Cited By ~ 10

Author(s):

Frans A. Asmuruf ◽

Nicholas A. Besley

Keyword(s):

Fine Structure ◽

Infrared Spectroscopy ◽

Density Functional ◽

Group Iv ◽

Density Functional Theory Study ◽

Functional Theory ◽

X Ray ◽

Group Iv Semiconductor ◽

Preferential Location of Coinage Metal Dopants (M = Ag or Cu) in [Au25–xMx(SC2H4Ph)18]−(x∼ 1) As Determined by Extended X-ray Absorption Fine Structure and Density Functional Theory Calculations

The Journal of Physical Chemistry C ◽

10.1021/jp5085372 ◽

2014 ◽

Vol 118 (43) ◽

pp. 25284-25290 ◽

Cited By ~ 69

Author(s):

Seiji Yamazoe ◽

Wataru Kurashige ◽

Katsuyuki Nobusada ◽

Yuichi Negishi ◽

Tatsuya Tsukuda

Keyword(s):

Fine Structure ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Functional Theory ◽

Coinage Metal ◽

X Ray ◽

Absorption Fine ◽

Preferential Location ◽

Facet and Phase-dependent Electroanalysis Performance of Nanocrystals in PTS Monitoring: Demonstrated by Density Functional Theory X-ray Absorption Fine Structure Spectroscopy

Persistent Toxic Substances Monitoring ◽

10.1002/9783527344109.ch6 ◽

2018 ◽

pp. 195-261

Author(s):

Wen-Yi Zhou ◽

Xing-Jiu Huang

Keyword(s):

Fine Structure ◽

Density Functional ◽

Functional Theory ◽

X Ray ◽

Absorption Fine ◽

X Ray Absorption ◽

Theory X

Time-dependent density functional theory calculations of near-edge X-ray absorption fine structure with short-range corrected functionals

Physical Chemistry Chemical Physics ◽

10.1039/b912718f ◽

2009 ◽

Vol 11 (44) ◽

pp. 10350 ◽

Cited By ~ 115

Author(s):

Nicholas A. Besley ◽

Michael J. G. Peach ◽

David J. Tozer

Keyword(s):

Fine Structure ◽

Short Range ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Time Dependent ◽

Functional Theory ◽

X Ray ◽

X Ray Absorption ◽

Dependent Density