A comparative study of the electronic structures of SrCu2O2 and PbCu2O2 by density functional theory, high resolution X-ray photoemission and electron paramagnetic resonance spectroscopy

Electronic Structures ◽

Density Functional ◽

Resonance Spectroscopy ◽

Paramagnetic Resonance ◽

Functional Theory ◽

X Ray ◽

Free radicals generated during oxidation of green tea polyphenols: Electron paramagnetic resonance spectroscopy combined with density functional theory calculations

Free Radical Biology and Medicine ◽

10.1016/j.freeradbiomed.2009.01.004 ◽

2009 ◽

Vol 46 (8) ◽

pp. 1076-1088 ◽

Cited By ~ 57

Author(s):

Joyce Ferreira Severino ◽

Bernard A. Goodman ◽

Christopher W.M. Kay ◽

Klaus Stolze ◽

Daniel Tunega ◽

...

Keyword(s):

Density Functional ◽

Density Functional Theory Calculations ◽

Green Tea Polyphenols ◽

Resonance Spectroscopy ◽

Paramagnetic Resonance ◽

Functional Theory ◽

Determination of the Complete Spin Density Distribution in13C-Labeled Protein-Bound Radical Intermediates Using Advanced 2D Electron Paramagnetic Resonance Spectroscopy and Density Functional Theory

The Journal of Physical Chemistry B ◽

10.1021/acs.jpcb.7b10036 ◽

2017 ◽

Vol 121 (44) ◽

pp. 10256-10268 ◽

Cited By ~ 6

Author(s):

Alexander T. Taguchi ◽

Patrick J. O’Malley ◽

Colin A. Wraight ◽

Sergei A. Dikanov

Keyword(s):

Density Functional ◽

Resonance Spectroscopy ◽

Paramagnetic Resonance ◽

Functional Theory ◽

Radical Intermediates ◽

Calculation of the G-Tensor of Electron Paramagnetic Resonance Spectroscopy Using Gauge-Including Atomic Orbitals and Density Functional Theory

The Journal of Physical Chemistry A ◽

10.1021/jp963060t ◽

1997 ◽

Vol 101 (18) ◽

pp. 3388-3399 ◽

Cited By ~ 164

Author(s):

Georg Schreckenbach ◽

Tom Ziegler

Keyword(s):

Density Functional ◽

Resonance Spectroscopy ◽

Paramagnetic Resonance ◽

Functional Theory ◽

Atomic Orbitals ◽

Syntheses, X-ray Structures, Solid State High-Field Electron Paramagnetic Resonance, and Density-Functional Theory Investigations on Chloro and Aqua MnIIMononuclear Complexes with Amino-Pyridine Pentadentate Ligands

Inorganic Chemistry ◽

10.1021/ic801943n ◽

2008 ◽

Vol 47 (23) ◽

pp. 11444-11444 ◽

Cited By ~ 1

Author(s):

Christelle Hureau ◽

Sihem Groni ◽

Régis Guillot ◽

Geneviève Blondin ◽

Carole Duboc ◽

...

Keyword(s):

Solid State ◽

High Field ◽

Density Functional ◽

Paramagnetic Resonance ◽

Functional Theory ◽

X Ray ◽

Pentadentate Ligands ◽

Syntheses, X-ray Structures, Solid State High-Field Electron Paramagnetic Resonance, and Density-Functional Theory Investigations on Chloro and Aqua MnIIMononuclear Complexes with Amino-Pyridine Pentadentate Ligands

Inorganic Chemistry ◽

10.1021/ic800551u ◽

2008 ◽

Vol 47 (20) ◽

pp. 9238-9247 ◽

Cited By ~ 25

Author(s):

Christelle Hureau ◽

Sihem Groni ◽

Régis Guillot ◽

Geneviève Blondin ◽

Carole Duboc ◽

...

Keyword(s):

Solid State ◽

High Field ◽

Density Functional ◽

Paramagnetic Resonance ◽

Functional Theory ◽

X Ray ◽

Pentadentate Ligands ◽

X-ray Crystallographic, Multifrequency Electron Paramagnetic Resonance, and Density Functional Theory Characterization of the Ni(PCy2NtBu2)2n+Hydrogen Oxidation Catalyst in the Ni(I) Oxidation State

Inorganic Chemistry ◽

10.1021/acs.inorgchem.5b00445 ◽

2015 ◽

Vol 54 (13) ◽

pp. 6226-6234 ◽

Cited By ~ 8

Author(s):

Jens Niklas ◽

Mark Westwood ◽

Kristy L. Mardis ◽

Tiara L. Brown ◽

Anthony M. Pitts-McCoy ◽

...

Keyword(s):

Density Functional ◽

Hydrogen Oxidation ◽

Oxidation Catalyst ◽

Paramagnetic Resonance ◽

Functional Theory ◽

X Ray ◽

The structure of the azide coordinated superoxide dismutase of Propionibacterium shermanii investigated by X-ray structure analysis, extended X-ray absorption fine structure, Mössbauer and electron paramagnetic resonance spectroscopy

Inorganica Chimica Acta ◽

10.1016/s0020-1693(97)06061-1 ◽

1998 ◽

Vol 275-276 ◽

pp. 65-72 ◽

Cited By ~ 5

Author(s):

M. Schmidt ◽

C. Scherk ◽

O. Iakovleva ◽

H.F. Nolting ◽

B. Meier ◽

...

Keyword(s):

Superoxide Dismutase ◽

Fine Structure ◽

Resonance Spectroscopy ◽

Paramagnetic Resonance ◽

X Ray ◽

Propionibacterium Shermanii ◽

X Ray Absorption ◽

Electron paramagnetic resonance study of Gabapentin and Pregabalin molecules with density functional theory

10.1063/1.5078894 ◽

2018 ◽

Author(s):

Halil Ugur Tasdemir ◽

Ercan Türkkan

Keyword(s):

Density Functional ◽

Electron Paramagnetic Resonance Study ◽

Paramagnetic Resonance ◽

Functional Theory ◽

Electron Paramagnetic Resonance Studies of Nitrosyl and Thionitrosyl and Density Functional Theory Studies of Nitrido, Nitrosyl, Thionitrosyl, and Selenonitrosyl Complexes of Chromium

Inorganic Chemistry ◽

10.1021/ic1009797 ◽

2010 ◽

Vol 49 (19) ◽

pp. 8769-8778 ◽

Cited By ~ 12

Author(s):

Johannes R. Dethlefsen ◽

Anders Døssing ◽

Erik D. Hedegård

Keyword(s):

Density Functional ◽

Paramagnetic Resonance ◽

Functional Theory ◽

Redox Levels of a closo-Osmaborane: A Density Functional Theory, Electron Paramagnetic Resonance and Electrochemical Study

Inorganic Chemistry ◽

10.1021/ic503027g ◽

2015 ◽

Vol 54 (9) ◽

pp. 4292-4302 ◽

Cited By ~ 2

Author(s):

Alexandr N. Simonov ◽

John F. Boas ◽

Melissa A. Skidmore ◽

Craig M. Forsyth ◽

Elena Mashkina ◽

...

Keyword(s):

Density Functional ◽

Electrochemical Study ◽

Paramagnetic Resonance ◽

Functional Theory ◽