Combined Electron Magnetic Resonance and Density Functional Theory Study of 10 K X-Irradiated β-d-Fructose Single Crystals

Mihaela Tarpan; Einar Sagstuen; Ewald Pauwels; Henk Vrielinck; Michel Waroquier; Freddy Callens

doi:10.1021/jp7119284

Combined Electron Magnetic Resonance and Density Functional Theory Study of 10 K X-Irradiated β-d-Fructose Single Crystals

The Journal of Physical Chemistry A ◽

10.1021/jp7119284 ◽

2008 ◽

Vol 112 (17) ◽

pp. 3898-3905 ◽

Cited By ~ 12

Author(s):

Mihaela Tarpan ◽

Einar Sagstuen ◽

Ewald Pauwels ◽

Henk Vrielinck ◽

Michel Waroquier ◽

...

Keyword(s):

Density Functional Theory ◽

Magnetic Resonance ◽

Single Crystals ◽

Density Functional ◽

Electron Magnetic Resonance ◽

Density Functional Theory Study ◽

Functional Theory

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Electron Magnetic Resonance and Density Functional Theory Study of Room Temperature X-Irradiated β-d-Fructose Single Crystals

The Journal of Physical Chemistry A ◽

10.1021/jp107777v ◽

2010 ◽

Vol 114 (47) ◽

pp. 12417-12426 ◽

Cited By ~ 10

Author(s):

Mihaela Adeluta Tarpan ◽

Ewald Pauwels ◽

Henk Vrielinck ◽

Michel Waroquier ◽

Freddy Callens

Keyword(s):

Density Functional Theory ◽

Magnetic Resonance ◽

Single Crystals ◽

Density Functional ◽

Room Temperature ◽

Electron Magnetic Resonance ◽

Density Functional Theory Study ◽

Functional Theory

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Radiation-induced defects in sucrose single crystals, revisited: A combined electron magnetic resonance and density functional theory study

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2007.09.033 ◽

2008 ◽

Vol 69 (5) ◽

pp. 1372-1383 ◽

Cited By ~ 18

Author(s):

H. De Cooman ◽

E. Pauwels ◽

H. Vrielinck ◽

A. Dimitrova ◽

N. Yordanov ◽

...

Keyword(s):

Density Functional Theory ◽

Magnetic Resonance ◽

Single Crystals ◽

Density Functional ◽

Electron Magnetic Resonance ◽

Density Functional Theory Study ◽

Functional Theory ◽

Radiation Induced ◽

Induced Defects

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Free Radical Conformations and Conversions in X-Irradiated Single Crystals ofl-Cysteic Acid by Electron Magnetic Resonance and Density Functional Theory Studies

The Journal of Physical Chemistry A ◽

10.1021/jp711821c ◽

2008 ◽

Vol 112 (18) ◽

pp. 4284-4293 ◽

Cited By ~ 3

Author(s):

Kjell Tage Øhman ◽

Einar Sagstuen

Keyword(s):

Density Functional Theory ◽

Free Radical ◽

Magnetic Resonance ◽

Single Crystals ◽

Density Functional ◽

Electron Magnetic Resonance ◽

Cysteic Acid ◽

Functional Theory

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Density Functional Theory Study of the Effects of Substituents on the Carbon-13 Nuclear Magnetic Resonance Chemical Shifts of Asphaltene Model Compounds

Energy & Fuels ◽

10.1021/ef502078n ◽

2014 ◽

Vol 29 (5) ◽

pp. 2843-2852 ◽

Cited By ~ 2

Author(s):

Jackeline S. C. Oliveira ◽

Leonardo M. da Costa ◽

Stanislav R. Stoyanov ◽

Peter R. Seidl

Keyword(s):

Density Functional Theory ◽

Nuclear Magnetic Resonance ◽

Magnetic Resonance ◽

Density Functional ◽

Chemical Shifts ◽

Density Functional Theory Study ◽

Model Compounds ◽

Functional Theory ◽

Nuclear Magnetic

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Nature of the Surface Intermediates Formed from Methane on Cu-ZSM-5 Zeolite: A Combined Solid-State Nuclear Magnetic Resonance and Density Functional Theory Study

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.0c00311 ◽

2020 ◽

Vol 124 (11) ◽

pp. 6242-6252 ◽

Cited By ~ 4

Author(s):

Alexander A. Kolganov ◽

Anton A. Gabrienko ◽

Svetlana A. Yashnik ◽

Evgeny A. Pidko ◽

Alexander G. Stepanov

Keyword(s):

Density Functional Theory ◽

Nuclear Magnetic Resonance ◽

Solid State ◽

Magnetic Resonance ◽

Density Functional ◽

Zeolite A ◽

Density Functional Theory Study ◽

Functional Theory ◽

Surface Intermediates ◽

Nuclear Magnetic

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Identification and Conformational Study of Stable Radiation-Induced Defects in Sucrose Single Crystals using Density Functional Theory Calculations of Electron Magnetic Resonance Parameters

The Journal of Physical Chemistry B ◽

10.1021/jp712004g ◽

2008 ◽

Vol 112 (24) ◽

pp. 7298-7307 ◽

Cited By ~ 20

Author(s):

H. De Cooman ◽

E. Pauwels ◽

H. Vrielinck ◽

E. Sagstuen ◽

F. Callens ◽

...

Keyword(s):

Density Functional Theory ◽

Magnetic Resonance ◽

Single Crystals ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Conformational Study ◽

Functional Theory ◽

Magnetic Resonance Parameters ◽

Radiation Induced ◽

Induced Defects

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Toward the Prediction of Water Exchange Rates in Magnetic Resonance Imaging Contrast Agents: A Density Functional Theory Study

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.5b01728 ◽

2015 ◽

Vol 119 (24) ◽

pp. 6436-6445 ◽

Cited By ~ 37

Author(s):

Martín Regueiro-Figueroa ◽

Carlos Platas-Iglesias

Keyword(s):

Magnetic Resonance Imaging ◽

Density Functional Theory ◽

Magnetic Resonance ◽

Exchange Rates ◽

Density Functional ◽

Water Exchange ◽

Density Functional Theory Study ◽

Resonance Imaging ◽

Functional Theory ◽

Magnetic Resonance Imaging Contrast

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(Invited) A Density Functional Theory Study of the Effect of Pressure on the Formation and Migration Enthalpies of Intrinsic Point Defects in Growing Si Single Crystals

ECS Transactions ◽

10.1149/05005.0043ecst ◽

2013 ◽

Vol 50 (5) ◽

pp. 43-52 ◽

Cited By ~ 2

Author(s):

K. Sueoka ◽

E. Kamiyama ◽

H. Kariyazaki ◽

J. Vanhellemont

Keyword(s):

Density Functional Theory ◽

Single Crystals ◽

Point Defects ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Effect Of Pressure ◽

Intrinsic Point Defects ◽

And Migration

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Reduction potentials of para -substituted nitrobenzenes-an infrared, nuclear magnetic resonance, and density functional theory study

Journal of Physical Organic Chemistry ◽

10.1002/poc.1868 ◽

2011 ◽

Vol 25 (1) ◽

pp. 58-68 ◽

Cited By ~ 50

Author(s):

Annemarie Kuhn ◽

Karel G. von Eschwege ◽

Jeanet Conradie

Keyword(s):

Density Functional Theory ◽

Nuclear Magnetic Resonance ◽

Magnetic Resonance ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Reduction Potentials ◽

Nuclear Magnetic

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The Structure of the Hydrated Electron. Part 1. Magnetic Resonance of Internally Trapping Water Anions: A Density Functional Theory Study

The Journal of Physical Chemistry A ◽

10.1021/jp068278m ◽

2007 ◽

Vol 111 (24) ◽

pp. 5223-5231 ◽

Cited By ~ 42

Author(s):

Ilya A. Shkrob

Keyword(s):

Density Functional Theory ◽

Magnetic Resonance ◽

Density Functional ◽

Hydrated Electron ◽

Density Functional Theory Study ◽

Functional Theory

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