Can far-IR action spectroscopy combined with BOMD simulations be conformation selective?

Jérôme Mahé; Sander Jaeqx; Anouk M. Rijs; Marie-Pierre Gaigeot

doi:10.1039/c5cp01518a

Can far-IR action spectroscopy combined with BOMD simulations be conformation selective?

Physical Chemistry Chemical Physics ◽

10.1039/c5cp01518a ◽

2015 ◽

Vol 17 (39) ◽

pp. 25905-25914 ◽

Cited By ~ 18

Author(s):

Jérôme Mahé ◽

Sander Jaeqx ◽

Anouk M. Rijs ◽

Marie-Pierre Gaigeot

Keyword(s):

Molecular Dynamics ◽

Structural Characterization ◽

Double Resonance ◽

Far Infrared ◽

Spectral Domain ◽

Resonance Spectroscopy ◽

Action Spectroscopy ◽

Infrared Spectral ◽

Double Resonance Spectroscopy

The combination of conformation selective far-IR/UV double resonance spectroscopy with Born–Oppenheimer molecular dynamics (BOMD) simulations is presented here for the structural characterization of the Ac-Phe-Pro-NH2 peptide in the far-infrared spectral domain, i.e. for radiation below 800 cm−1.

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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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Double Resonance Spectroscopy and Molecular Dynamics

Science ◽

10.1126/science.262.5132.374 ◽

1993 ◽

Vol 262 (5132) ◽

pp. 374-375 ◽

Cited By ~ 5

Author(s):

C.-H. Zhang ◽

G.-H. Sha

Keyword(s):

Molecular Dynamics ◽

Double Resonance ◽

Resonance Spectroscopy ◽

Double Resonance Spectroscopy

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Experimental characterization of the CNX2Σ++ Ar and H2potentials via infrared-ultraviolet double resonance spectroscopy

The Journal of Chemical Physics ◽

10.1063/1.4723696 ◽

2012 ◽

Vol 136 (23) ◽

pp. 234304 ◽

Cited By ~ 6

Author(s):

Bridget A. O'Donnell ◽

Joseph M. Beames ◽

Marsha I. Lester

Keyword(s):

Double Resonance ◽

Resonance Spectroscopy ◽

Experimental Characterization ◽

Double Resonance Spectroscopy

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Characterization of calcium-binding sites in the kidney stone inhibitor glycoprotein nephrocalcin with vanadyl ions: electron paramagnetic resonance and electron nuclear double resonance spectroscopy.

Proceedings of the National Academy of Sciences ◽

10.1073/pnas.91.24.11323 ◽

1994 ◽

Vol 91 (24) ◽

pp. 11323-11327 ◽

Cited By ~ 17

Author(s):

D. Mustafi ◽

Y. Nakagawa

Keyword(s):

Binding Sites ◽

Calcium Binding ◽

Double Resonance ◽

Resonance Spectroscopy ◽

Electron Nuclear Double Resonance ◽

Paramagnetic Resonance ◽

Calcium Binding Sites ◽

Double Resonance Spectroscopy ◽

Electron Paramagnetic

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Vibration-Rotation Spectroscopy of ArHCI by Far-Infrared Laser and Microwave/Far-Infrared Laser Double Resonance Spectroscopy

Structure and Dynamics of Weakly Bound Molecular Complexes ◽

10.1007/978-94-009-3969-1_6 ◽

1987 ◽

pp. 85-92

Author(s):

Ruth L. Robinson ◽

Douglas Ray ◽

Dz.-Hung Gwo ◽

Richard J. Saykally

Keyword(s):

Double Resonance ◽

Far Infrared ◽

Infrared Laser ◽

Resonance Spectroscopy ◽

Far Infrared Laser ◽

Double Resonance Spectroscopy ◽

Vibration Rotation

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An extended study of the lowest Π bending vibration–rotation spectrum of Ar–HCl by intracavity far infrared laser/microwave double resonance spectroscopy

The Journal of Chemical Physics ◽

10.1063/1.453683 ◽

1987 ◽

Vol 87 (9) ◽

pp. 5149-5155 ◽

Cited By ~ 65

Author(s):

Ruth L. Robinson ◽

Douglas Ray ◽

Dz‐Hung Gwo ◽

Richard J. Saykally

Keyword(s):

Double Resonance ◽

Far Infrared ◽

Infrared Laser ◽

Resonance Spectroscopy ◽

Bending Vibration ◽

Extended Study ◽

Far Infrared Laser ◽

Double Resonance Spectroscopy ◽

Vibration Rotation ◽

Rotation Spectrum

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Characterization of the iron-sulfur [4Fe-4S]+ cluster at the active site of aconitase by iron-57, sulfur-33, and nitrogen-14 electron nuclear double resonance spectroscopy

Biochemistry ◽

10.1021/bi00498a016 ◽

1990 ◽

Vol 29 (46) ◽

pp. 10533-10540 ◽

Cited By ~ 45

Author(s):

Melanie M. Werst ◽

Mary Claire Kennedy ◽

Andrew L. P. Houseman ◽

Helmut Beinert ◽

Brian M. Hoffman

Keyword(s):

Active Site ◽

Double Resonance ◽

Resonance Spectroscopy ◽

Electron Nuclear Double Resonance ◽

Iron Sulfur ◽

Double Resonance Spectroscopy

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Structural characterization of a crude oil by one and two dimensional nuclear magnetic resonance spectroscopy

Journal de Chimie Physique ◽

10.1051/jcp/1992890533 ◽

1992 ◽

Vol 89 ◽

pp. 533-539 ◽

Cited By ~ 2

Author(s):

G Dosseh ◽

B Rousseau ◽

AH Fuchs

Keyword(s):

Nuclear Magnetic Resonance ◽

Magnetic Resonance ◽

Magnetic Resonance Spectroscopy ◽

Crude Oil ◽

Nuclear Magnetic Resonance Spectroscopy ◽

Structural Characterization ◽

Resonance Spectroscopy ◽

Two Dimensional ◽

Nuclear Magnetic

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Optical/Millimeter-Wave Double-Resonance Spectroscopy of Rydberg Atoms

10.21236/ada427191 ◽

2003 ◽

Author(s):

Thomas F. Gallagher

Keyword(s):

Millimeter Wave ◽

Rydberg Atoms ◽

Double Resonance ◽

Resonance Spectroscopy ◽

Double Resonance Spectroscopy

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ChemInform Abstract: Infrared-Radiofrequency Double Resonance Spectroscopy of CH3F Using a Color Center Laser

ChemInform ◽

10.1002/chin.198910044 ◽

1989 ◽

Vol 20 (10) ◽

Author(s):

C. PURSELL ◽

W. C. HO ◽

F. SCAPPINI ◽

T. OKA

Keyword(s):

Color Center ◽

Double Resonance ◽

Resonance Spectroscopy ◽

Color Center Laser ◽

Double Resonance Spectroscopy

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