Density Functional Theory Calculations of the Electron Paramagnetic Resonance Parameters for VO2+Complexes

Alexander C. Saladino; Sarah C. Larsen

doi:10.1021/jp022297o

Density Functional Theory Calculations of the Electron Paramagnetic Resonance Parameters for VO2+Complexes

The Journal of Physical Chemistry A ◽

10.1021/jp022297o ◽

2003 ◽

Vol 107 (11) ◽

pp. 1872-1878 ◽

Cited By ~ 42

Author(s):

Alexander C. Saladino ◽

Sarah C. Larsen

Keyword(s):

Density Functional Theory ◽

Electron Paramagnetic Resonance ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Paramagnetic Resonance ◽

Functional Theory ◽

Resonance Parameters ◽

Electron Paramagnetic

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Density Functional Theory Calculations of Electron Paramagnetic Resonance Parameters of a Nitroxide Spin Label in Tissue Factor and Factor VIIa Protein Complex

The Journal of Physical Chemistry B ◽

10.1021/jp022070t ◽

2002 ◽

Vol 106 (47) ◽

pp. 12354-12360 ◽

Cited By ~ 11

Author(s):

Maria Engström ◽

Juha Vaara ◽

Bernd Schimmelpfennig ◽

Hans Ågren

Keyword(s):

Density Functional Theory ◽

Electron Paramagnetic Resonance ◽

Protein Complex ◽

Spin Label ◽

Density Functional ◽

Factor Viia ◽

Density Functional Theory Calculations ◽

Paramagnetic Resonance ◽

Functional Theory ◽

Electron Paramagnetic

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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 Theory ◽

Electron Paramagnetic Resonance ◽

Density Functional ◽

Electron Paramagnetic Resonance Spectroscopy ◽

Density Functional Theory Calculations ◽

Green Tea Polyphenols ◽

Resonance Spectroscopy ◽

Paramagnetic Resonance ◽

Functional Theory ◽

Electron Paramagnetic

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Comparison of Experimental and Broken Symmetry Density Functional Theory Calculated Electron Paramagnetic Resonance Parameters for the Manganese Catalase Active Site in the Superoxidized MnIII/MnIV State

The Journal of Physical Chemistry B ◽

10.1021/acs.jpcb.7b11649 ◽

2018 ◽

Vol 122 (11) ◽

pp. 2881-2890 ◽

Cited By ~ 1

Author(s):

Nathan J. Beal ◽

Thomas A. Corry ◽

Patrick J. O’Malley

Keyword(s):

Density Functional Theory ◽

Electron Paramagnetic Resonance ◽

Active Site ◽

Density Functional ◽

Broken Symmetry ◽

Paramagnetic Resonance ◽

Functional Theory ◽

Resonance Parameters ◽

Manganese Catalase ◽

Electron Paramagnetic

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Structure and Properties of 9′-cisNeoxanthin Carotenoid Radicals by Electron Paramagnetic Resonance Measurements and Density Functional Theory Calculations: Present in LHC II?

The Journal of Physical Chemistry B ◽

10.1021/jp810604s ◽

2009 ◽

Vol 113 (17) ◽

pp. 6087-6096 ◽

Cited By ~ 14

Author(s):

A. Ligia Focsan ◽

Péter Molnár ◽

József Deli ◽

Lowell Kispert

Keyword(s):

Density Functional Theory ◽

Electron Paramagnetic Resonance ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Structure And Properties ◽

Paramagnetic Resonance ◽

Lhc Ii ◽

Functional Theory ◽

Electron Paramagnetic

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Phosphaalkenes with Inverse Electron Density: Electrochemistry, Electron Paramagnetic Resonance Spectra, and Density Functional Theory Calculations of Aminophosphaalkene Derivatives

The Journal of Physical Chemistry A ◽

10.1021/jp030023a ◽

2003 ◽

Vol 107 (24) ◽

pp. 4883-4892 ◽

Cited By ~ 28

Author(s):

Patrick Rosa ◽

Cyril Gouverd ◽

Gérald Bernardinelli ◽

Théo Berclaz ◽

Michel Geoffroy

Keyword(s):

Density Functional Theory ◽

Electron Paramagnetic Resonance ◽

Electron Density ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Paramagnetic Resonance ◽

Functional Theory ◽

Electron Paramagnetic

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Identifying intermediates in the reductive intramolecular cyclisation of allyl 2-bromobenzyl ether by an improved electron paramagnetic resonance spectroelectrochemical electrode design combined with density functional theory calculations

Electrochimica Acta ◽

10.1016/j.electacta.2018.03.093 ◽

2018 ◽

Vol 271 ◽

pp. 10-18 ◽

Cited By ~ 4

Author(s):

Danny Pauwels ◽

H.Y. Vincent Ching ◽

Mohammad Samanipour ◽

Sander Neukermans ◽

Jonas Hereijgers ◽

...

Keyword(s):

Density Functional Theory ◽

Electron Paramagnetic Resonance ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Electrode Design ◽

Paramagnetic Resonance ◽

Functional Theory ◽

Electron Paramagnetic

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Resonance Raman, Electron Paramagnetic Resonance, and Density Functional Theory Calculations of a Phenolate-Bound Iron Porphyrin Complex: Electrostatic versus Covalent Contribution to Bonding

Inorganic Chemistry ◽

10.1021/ic500716d ◽

2014 ◽

Vol 53 (14) ◽

pp. 7361-7370 ◽

Cited By ~ 9

Author(s):

Pradip Kumar Das ◽

Abhishek Dey

Keyword(s):

Density Functional Theory ◽

Electron Paramagnetic Resonance ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Iron Porphyrin ◽

Paramagnetic Resonance ◽

Functional Theory ◽

Porphyrin Complex ◽

Covalent Contribution ◽

Electron Paramagnetic

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The Interplay of manganese and nitrate in hydroxyapatite nanoparticles as revealed by pulsed EPR and DFT

Physical Chemistry Chemical Physics ◽

10.1039/c5cp01986a ◽

2015 ◽

Vol 17 (31) ◽

pp. 20331-20337 ◽

Cited By ~ 22

Author(s):

Marat Gafurov ◽

Timur Biktagirov ◽

Georgy Mamin ◽

Elena Klimashina ◽

Valery Putlayev ◽

...

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Hydroxyapatite Nanoparticles ◽

Paramagnetic Resonance ◽

Functional Theory ◽

Pulsed Epr ◽

Pulsed Electron Paramagnetic Resonance ◽

Electron Paramagnetic ◽

Oppositely Charged

The interplay of oppositely charged substitutions in the structure of hydroxyapatite nanopowders is investigated by pulsed electron paramagnetic resonance and ab initio density functional theory calculations.

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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 Theory ◽

Electron Paramagnetic Resonance ◽

Density Functional ◽

Electron Paramagnetic Resonance Study ◽

Paramagnetic Resonance ◽

Functional Theory ◽

Electron Paramagnetic

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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 Theory ◽

Electron Paramagnetic Resonance ◽

Density Functional ◽

Paramagnetic Resonance ◽

Functional Theory ◽

Electron Paramagnetic

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