Phylloquinone and Related Radical Anions Studied by Pulse Electron Nuclear Double Resonance Spectroscopy at 34 GHz and Density Functional Theory

Boris Epel; Jens Niklas; Sebastian Sinnecker; Herbert Zimmermann; Wolfgang Lubitz

doi:10.1021/jp060548d

Phylloquinone and Related Radical Anions Studied by Pulse Electron Nuclear Double Resonance Spectroscopy at 34 GHz and Density Functional Theory

The Journal of Physical Chemistry B ◽

10.1021/jp060548d ◽

2006 ◽

Vol 110 (23) ◽

pp. 11549-11560 ◽

Cited By ~ 24

Author(s):

Boris Epel ◽

Jens Niklas ◽

Sebastian Sinnecker ◽

Herbert Zimmermann ◽

Wolfgang Lubitz

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Double Resonance ◽

Resonance Spectroscopy ◽

Radical Anions ◽

Pulse Electron ◽

Electron Nuclear Double Resonance ◽

Functional Theory ◽

Double Resonance Spectroscopy

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Mechanism-based Inhibition Reveals Transitions between Two Conformational States in the Action of Lysine 5,6-Aminomutase: A Combination of Electron Paramagnetic Resonance Spectroscopy, Electron Nuclear Double Resonance Spectroscopy, and Density Functional Theory Study

Journal of the American Chemical Society ◽

10.1021/ja309603a ◽

2012 ◽

Vol 135 (2) ◽

pp. 788-794 ◽

Cited By ~ 9

Author(s):

Yung-Han Chen ◽

Amarendra N. Maity ◽

Perry A. Frey ◽

Shyue-Chu Ke

Keyword(s):

Density Functional ◽

Electron Paramagnetic Resonance Spectroscopy ◽

Double Resonance ◽

Resonance Spectroscopy ◽

Density Functional Theory Study ◽

Electron Nuclear Double Resonance ◽

Paramagnetic Resonance ◽

Functional Theory ◽

Double Resonance Spectroscopy ◽

Electron Paramagnetic

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Assessment of amide I spectroscopic maps for a gas-phase peptide using IR-UV double-resonance spectroscopy and density functional theory calculations

The Journal of Chemical Physics ◽

10.1063/1.4882059 ◽

2014 ◽

Vol 140 (22) ◽

pp. 224111 ◽

Cited By ~ 17

Author(s):

J. K. Carr ◽

A. V. Zabuga ◽

S. Roy ◽

T. R. Rizzo ◽

J. L. Skinner

Keyword(s):

Density Functional Theory ◽

Gas Phase ◽

Density Functional ◽

Double Resonance ◽

Density Functional Theory Calculations ◽

Resonance Spectroscopy ◽

Functional Theory ◽

Double Resonance Spectroscopy

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IR + VUV double resonance spectroscopy and extended density functional theory studies of ketone solvation by alcohol: 2-butanone·(methanol)n, n = 1–4 clusters

The Journal of Chemical Physics ◽

10.1063/1.4995997 ◽

2017 ◽

Vol 147 (12) ◽

pp. 124311

Author(s):

Joong-Won Shin ◽

Elliot R. Bernstein

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Double Resonance ◽

Resonance Spectroscopy ◽

Functional Theory ◽

Double Resonance Spectroscopy

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In Situ Identification of Various Structural Features of Vanadyl Porphyrins in Crude Oil by High-Field (3.4 T) Electron–Nuclear Double Resonance Spectroscopy Combined with Density Functional Theory Calculations

Energy & Fuels ◽

10.1021/acs.energyfuels.6b02494 ◽

2017 ◽

Vol 31 (2) ◽

pp. 1243-1249 ◽

Cited By ~ 21

Author(s):

Timur Biktagirov ◽

Marat Gafurov ◽

Georgy Mamin ◽

Irina Gracheva ◽

Andrey Galukhin ◽

...

Keyword(s):

High Field ◽

Density Functional ◽

Double Resonance ◽

Density Functional Theory Calculations ◽

Structural Features ◽

Resonance Spectroscopy ◽

Electron Nuclear Double Resonance ◽

Functional Theory ◽

Double Resonance Spectroscopy

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Hydrogen Bonding and Stacking π−π Interactions in Solid 6-Thioguanine and 6-Mercaptopurine (Antileukemia and Antineoplastic Drugs) Studied by NMR-NQR Double Resonance Spectroscopy and Density Functional Theory

The Journal of Physical Chemistry A ◽

10.1021/jp904331z ◽

2009 ◽

Vol 113 (30) ◽

pp. 8781-8790 ◽

Cited By ~ 15

Author(s):

J. N. Latosińska ◽

J. Seliger ◽

V. Žagar ◽

D. V. Burchardt

Keyword(s):

Density Functional Theory ◽

Hydrogen Bonding ◽

Density Functional ◽

Double Resonance ◽

Resonance Spectroscopy ◽

Antineoplastic Drugs ◽

Functional Theory ◽

Π Interactions ◽

Double Resonance Spectroscopy

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Spin-Density Distribution of the Carotenoid Triplet State in the Peridinin-Chlorophyll-Protein Antenna. A Q-Band Pulse Electron-Nuclear Double Resonance and Density Functional Theory Study

Journal of the American Chemical Society ◽

10.1021/ja077225v ◽

2007 ◽

Vol 129 (50) ◽

pp. 15442-15443 ◽

Cited By ~ 24

Author(s):

Jens Niklas ◽

Tim Schulte ◽

Shipra Prakash ◽

Maurice van Gastel ◽

Eckhard Hofmann ◽

...

Keyword(s):

Density Functional Theory ◽

Triplet State ◽

Density Distribution ◽

Density Functional ◽

Double Resonance ◽

Pulse Electron ◽

Density Functional Theory Study ◽

Electron Nuclear Double Resonance ◽

Functional Theory ◽

Chlorophyll Protein

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Characterization of borate glasses by W-band pulse electron-nuclear double resonance spectroscopy

The Journal of Chemical Physics ◽

10.1063/1.2991171 ◽

2008 ◽

Vol 129 (15) ◽

pp. 154502 ◽

Cited By ~ 7

Author(s):

George Kordas ◽

Daniella Goldfarb

Keyword(s):

Double Resonance ◽

Resonance Spectroscopy ◽

Borate Glasses ◽

Pulse Electron ◽

Electron Nuclear Double Resonance ◽

W Band ◽

Double Resonance Spectroscopy

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ChemInform Abstract: RADICAL ANIONS OF SYN- AND ANTI-(2.2)(1,4)ANTHRACENOPHANES STUDIED BY ELECTRON-NUCLEAR DOUBLE RESONANCE SPECTROSCOPY

Chemischer Informationsdienst ◽

10.1002/chin.198017073 ◽

1980 ◽

Vol 11 (17) ◽

Author(s):

F. NEMOTO ◽

K. ISHIZU ◽

T. TOYODA ◽

Y. SAKATA ◽

S. MISUMI

Keyword(s):

Double Resonance ◽

Resonance Spectroscopy ◽

Radical Anions ◽

Electron Nuclear Double Resonance ◽

Double Resonance Spectroscopy

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An investigation of the structure of free-base porphycene by time-resolved electron nuclear double resonance and density functional theory on the photoexcited triplet state

Molecular Physics ◽

10.1080/00268970110054520 ◽

2001 ◽

Vol 99 (16) ◽

pp. 1413-1420 ◽

Cited By ~ 13

Author(s):

C. W. M. KAY ◽

U. GROMADECKI ◽

J. T. TÖRRING ◽

S. WEBER

Keyword(s):

Density Functional Theory ◽

Triplet State ◽

Density Functional ◽

Double Resonance ◽

Free Base ◽

Electron Nuclear Double Resonance ◽

Functional Theory ◽

Time Resolved

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Radical anions of syn- and anti-[2.2](1,4)anthracenophanes studied by electron-nuclear double resonance spectroscopy

Journal of the American Chemical Society ◽

10.1021/ja00522a036 ◽

1980 ◽

Vol 102 (2) ◽

pp. 654-656 ◽

Cited By ~ 16

Author(s):

Fujito Nemoto ◽

Kazuhiko Ishizu ◽

Toshihiro Toyoda ◽

Yoshiteru Sakata ◽

Soichi Misumi

Keyword(s):

Double Resonance ◽

Resonance Spectroscopy ◽

Radical Anions ◽

Electron Nuclear Double Resonance ◽

Double Resonance Spectroscopy

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