Inelastic neutron scattering, Raman, vibrational analysis with anharmonic corrections, and scaled quantum mechanical force field for polycrystalline l-alanine

Robert W. Williams; Sebastian Schlücker; Bruce S. Hudson

doi:10.1016/j.chemphys.2007.09.063

Inelastic neutron scattering, Raman, vibrational analysis with anharmonic corrections, and scaled quantum mechanical force field for polycrystalline l-alanine

Chemical Physics ◽

10.1016/j.chemphys.2007.09.063 ◽

2008 ◽

Vol 343 (1) ◽

pp. 1-18 ◽

Cited By ~ 15

Author(s):

Robert W. Williams ◽

Sebastian Schlücker ◽

Bruce S. Hudson

Keyword(s):

Force Field ◽

Neutron Scattering ◽

Inelastic Neutron Scattering ◽

Vibrational Analysis ◽

Inelastic Neutron ◽

Mechanical Force ◽

Quantum Mechanical ◽

Anharmonic Corrections

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Force Field for the S-Triazine Molecule by using the Inelastic Neutron Scattering Spectrum and Quantum Mechanical Calculations

Spectroscopy of Biological Molecules: Modern Trends ◽

10.1007/978-94-011-5622-6_251 ◽

1997 ◽

pp. 553-554

Author(s):

M. Fernández Gómez ◽

J. J. López González ◽

A. Navarro ◽

G. Kearley ◽

J. Tomkinson

Keyword(s):

Force Field ◽

Neutron Scattering ◽

Inelastic Neutron Scattering ◽

Inelastic Neutron ◽

Quantum Mechanical ◽

Quantum Mechanical Calculations ◽

Scattering Spectrum

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Tetrachloropyrimidine: molecular structure by electron diffraction, vibrational analysis by infrared, Raman and inelastic neutron scattering spectroscopies, and quantum mechanical calculations

Physical Chemistry Chemical Physics ◽

10.1039/a903188j ◽

1999 ◽

Vol 1 (15) ◽

pp. 3453-3460 ◽

Cited By ~ 2

Author(s):

Amparo Navarro ◽

Manuel Fernández-Gómez ◽

M. P. Fernández-Liencres ◽

Carole A. Morrison ◽

David W. H. Rankin ◽

...

Keyword(s):

Molecular Structure ◽

Electron Diffraction ◽

Neutron Scattering ◽

Inelastic Neutron Scattering ◽

Vibrational Analysis ◽

Inelastic Neutron ◽

Quantum Mechanical ◽

Quantum Mechanical Calculations

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The molecular force field of 4-fluorostyrene: an insight into its vibrational analysis using inelastic neutron scattering, optical spectroscopies (IR/Raman) and theoretical calculationsElectronic supplementary information (ESI) available: Structural parameters, frequences and force constants of 4-fluorostyrene (4 tables); observed and calculated IR spectra and INS spectra (6 figures). See http://www.rsc.org/suppdata/cp/b2/b212620f/

Physical Chemistry Chemical Physics ◽

10.1039/b212620f ◽

2003 ◽

Vol 5 (9) ◽

pp. 1760-1768 ◽

Cited By ~ 4

Author(s):

J. M. Granadino-Roldán ◽

M. Fernández-Gómez ◽

A. Navarro ◽

U. A. Jayasooriya

Keyword(s):

Ir Spectra ◽

Force Field ◽

Neutron Scattering ◽

Inelastic Neutron Scattering ◽

Structural Parameters ◽

Vibrational Analysis ◽

Inelastic Neutron ◽

Supplementary Information ◽

Molecular Force ◽

Insight Into

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Inelastic neutron scattering intensities and force-field calculation of partially deuterated N-methylacetamide (CD3CONHCD3): normal mode versus local mode picture

Physica B Condensed Matter ◽

10.1016/0921-4526(92)90434-t ◽

1992 ◽

Vol 180-181 ◽

pp. 683-686 ◽

Cited By ~ 2

Author(s):

F. Fillaux ◽

J.P. Fontaine ◽

M.H. Baron ◽

J. Tomkinson ◽

G.J. Kearley

Keyword(s):

Force Field ◽

Neutron Scattering ◽

Normal Mode ◽

Inelastic Neutron Scattering ◽

Inelastic Neutron ◽

Local Mode ◽

Field Calculation ◽

Force Field Calculation ◽

Mode Versus

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Vibrational analysis of the inelastic neutron scattering spectrum of pyridine

Chemical Physics ◽

10.1016/s0301-0104(00)00233-0 ◽

2000 ◽

Vol 261 (1-2) ◽

pp. 239-247 ◽

Cited By ~ 9

Author(s):

Francisco Partal ◽

Manuel Fernández-Gómez ◽

Juan J López-González ◽

Amparo Navarro ◽

Gordon J Kearley

Keyword(s):

Neutron Scattering ◽

Inelastic Neutron Scattering ◽

Vibrational Analysis ◽

Inelastic Neutron ◽

Scattering Spectrum

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Methyl rotation in acetamide: the transition from quantum mechanical tunneling to classical reorientation studied by inelastic neutron scattering

Zeitschrift für Physik B Condensed Matter ◽

10.1007/bf01323489 ◽

1989 ◽

Vol 76 (1) ◽

pp. 77-88 ◽

Cited By ~ 53

Author(s):

A. Heidemann ◽

M. Prager ◽

M. Monkenbusch

Keyword(s):

Neutron Scattering ◽

Inelastic Neutron Scattering ◽

Inelastic Neutron ◽

Quantum Mechanical ◽

Quantum Mechanical Tunneling ◽

Methyl Rotation

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Vibrational Analysis of an Industrial Fe-Based Fischer-Tropsch Catalyst Employing Inelastic Neutron Scattering

Angewandte Chemie International Edition ◽

10.1002/anie.201210179 ◽

2013 ◽

Vol 52 (21) ◽

pp. 5608-5611 ◽

Cited By ~ 17

Author(s):

Neil G. Hamilton ◽

Ian P. Silverwood ◽

Robbie Warringham ◽

Josef Kapitán ◽

Lutz Hecht ◽

...

Keyword(s):

Neutron Scattering ◽

Inelastic Neutron Scattering ◽

Vibrational Analysis ◽

Inelastic Neutron ◽

Fischer Tropsch

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Vibrational Analysis of the Inelastic Neutron Scattering Spectrum of the Pyreviidine Molecule

Spectroscopy of Biological Molecules: Modern Trends ◽

10.1007/978-94-011-5622-6_253 ◽

1997 ◽

pp. 557-558

Author(s):

J. J. López González ◽

M. Fernández Gómez ◽

A. Navarro ◽

G. Kearley ◽

J. Tomkinson

Keyword(s):

Neutron Scattering ◽

Inelastic Neutron Scattering ◽

Vibrational Analysis ◽

Inelastic Neutron ◽

Scattering Spectrum

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A scaled quantum mechanical force field and vibrational analysis for the gamma glycine crystal polymorph: Hydrogen bond stretching modes observed

Journal of Molecular Structure THEOCHEM ◽

10.1016/j.theochem.2004.04.044 ◽

2004 ◽

Vol 685 (1-3) ◽

pp. 101-107 ◽

Cited By ~ 8

Author(s):

R.W. Williams

Keyword(s):

Hydrogen Bond ◽

Force Field ◽

Vibrational Analysis ◽

Mechanical Force ◽

Quantum Mechanical ◽

Bond Stretching

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Vibrational Analysis of an Industrial Fe-Based Fischer-Tropsch Catalyst Employing Inelastic Neutron Scattering

Angewandte Chemie ◽

10.1002/ange.201210179 ◽

2013 ◽

Vol 125 (21) ◽

pp. 5718-5721 ◽

Cited By ~ 1

Author(s):

Neil G. Hamilton ◽

Ian P. Silverwood ◽

Robbie Warringham ◽

Josef Kapitán ◽

Lutz Hecht ◽

...

Keyword(s):

Neutron Scattering ◽

Inelastic Neutron Scattering ◽

Vibrational Analysis ◽

Inelastic Neutron ◽

Fischer Tropsch

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