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Infrared and Raman Spectroscopy of Eugenol, Isoeugenol, and Methyl Eugenol: Conformational Analysis and Vibrational Assignments from Density Functional Theory Calculations of the Anharmonic Fundamentals

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2015-11, Vol.119 (46), p.11280-11292

2015

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Comparison of Co with Mn and Fe in LDH-hosted Sulfonato−Salen Catalysts for Olefin Epoxidation

Journal of physical chemistry. C, 2008-09, Vol.112 (36), p.14124-14130

2008

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Raman spectroscopic study of supported chromium(vi) oxide catalysts

Physical chemistry chemical physics : PCCP, 2003-02, Vol.5 (6), p.1320-1328

2003

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Vibrational spectroscopy and DFT calculations of di-amino acid cyclic peptides. Part I: cyclo(Gly-Gly), cyclo(L-Ala-L-Ala) and cyclo(L-Ala-Gly) in the solid state and in aqueous solution

Journal of Raman spectroscopy, 2009-11, Vol.40 (11), p.1478-1497

2009

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Can ion mobility mass spectrometry and density functional theory help elucidate protonation sites in 'small' molecules?

Rapid communications in mass spectrometry, 2013-11, Vol.27 (21), p.2399-2410

2013

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Raman and IR spectroscopic studies of fenamates – Conformational differences in polymorphs of flufenamic acid, mefenamic acid and tolfenamic acid

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2012-10, Vol.96, p.972-985

2012

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Vibrational spectra and crystal structure of the di-amino acid peptide cyclo(L-Met-L-Met): comparison of experimental data and DFT calculations

Journal of Raman spectroscopy, 2010-02, Vol.41 (2), p.148-159

2010

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Vibrational Spectra of α-Amino Acids in the Zwitterionic State in Aqueous Solution and the Solid State: DFT Calculations and the Influence of Hydrogen Bonding

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2008-10, Vol.112 (41), p.10333-10347

2008

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Computational Chemistry Using Modern Electronic Structure Methods

Journal of chemical education, 2007-08, Vol.84 (8), p.1364

2007

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Nature of Surface Sulfate Species and the Generation of Active Sites on Silica−Zirconia Mixed-Oxide Catalysts

The journal of physical chemistry. B, 2003-07, Vol.107 (27), p.6526-6534

2003

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A resonance Raman spectroscopic study of the protonation of Disperse Orange 25 in solution and adsorbed on oxide surfaces

Journal of Raman spectroscopy, 2007-07, Vol.38 (7), p.832-840

2007

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DFT calculations of the structures and vibrational spectra of the [Fe(bpy) 3] 2+ and [Ru(bpy) 3] 2+ complexes

Chemical physics, 2008-09, Vol.352 (1), p.19-27

2008

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Adsorption of 2-chloropyridine on oxides—an infrared spectroscopic study

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2003-11, Vol.59 (13), p.3205-3217

2003

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An infrared and resonance Raman spectroscopic study of phenylazonaphthol pigments

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2006-07, Vol.64 (4), p.891-900

2006

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The surface acidity of oxides probed by IR spectroscopy of adsorbed diazines

Physical chemistry chemical physics : PCCP, 2001, Vol.3 (13), p.2676-2685

2001

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Surface-enhanced Raman scattering studies of rhodanines: evidence for substrate surface-induced dimerization

Physical chemistry chemical physics : PCCP, 2009-01, Vol.11 (34), p.7476-7483

2009

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Vibrational spectroscopy and DFT calculations of the di-amino acid peptide L-aspartyl-L-glutamic acid in the zwitterionic state

Physical chemistry chemical physics : PCCP, 2009-01, Vol.11 (30), p.6389-6400

2009

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IR/Raman spectroscopy and DFT calculations of cyclic di-amino acid peptides. Part III: comparison of solid state and solution structures of cyclo(L-Ser-L-Ser)

Journal of Raman spectroscopy, 2009-11, Vol.40 (11), p.1508-1520

2009

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Assignment of the low frequency modes of the catalytic surface modifier cinchonidine and its diastereomer cinchonine

Vibrational spectroscopy, 2011-09, Vol.57 (1), p.116-125

2011

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A vibrational spectroscopic investigation of rhodanine and its derivatives in the solid state

Journal of Raman spectroscopy, 2010-10, Vol.41 (10), p.1306-1317

2010

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Vibrational spectroscopic studies of the structure of di-amino acid peptides. Part II: cyclo(L-Asp-L-Asp) in the solid state and in aqueous solution

Journal of Raman spectroscopy, 2009-11, Vol.40 (11), p.1498-1507

2009

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Vibrational spectra and structures of the anions of urazole and 4-methylurazole: DFT calculations of the normal modes and the influence of hydrogen bonding

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2011-03, Vol.78 (3), p.918-925

2011

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Vibrational spectroscopy and crystal structure analysis of two polymorphs of the di-amino acid peptide cyclo(L-Glu-L-Glu)

Journal of Raman spectroscopy, 2010-03, Vol.41 (3), p.288-302

2010

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Cyclic voltammetry and spectroelectrochemical study of nickel and cobalt diphenyltetraazaannulene complexes

Journal of electroanalytical chemistry (Lausanne, Switzerland), 2007-07, Vol.605 (2), p.109-117

2007

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Ab Initio Calculations of the Structures and Vibrational Spectra of Ethene Complexes

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2004-01, Vol.108 (1), p.146-156

2004

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Infrared and Raman Spectroscopy of Eugenol, Isoeugenol, and Methyl Eugenol: Conformational Analysis and Vibrational Assignments from Density Functional Theory Calculations of the Anharmonic Fundamentals

Comparison of Co with Mn and Fe in LDH-hosted Sulfonato−Salen Catalysts for Olefin Epoxidation

Raman spectroscopic study of supported chromium(vi) oxide catalysts

Vibrational spectroscopy and DFT calculations of di-amino acid cyclic peptides. Part I: cyclo(Gly-Gly), cyclo(L-Ala-L-Ala) and cyclo(L-Ala-Gly) in the solid state and in aqueous solution

Can ion mobility mass spectrometry and density functional theory help elucidate protonation sites in 'small' molecules?

Raman and IR spectroscopic studies of fenamates – Conformational differences in polymorphs of flufenamic acid, mefenamic acid and tolfenamic acid

Vibrational spectra and crystal structure of the di-amino acid peptide cyclo(L-Met-L-Met): comparison of experimental data and DFT calculations

Vibrational Spectra of α-Amino Acids in the Zwitterionic State in Aqueous Solution and the Solid State: DFT Calculations and the Influence of Hydrogen Bonding

Computational Chemistry Using Modern Electronic Structure Methods

Nature of Surface Sulfate Species and the Generation of Active Sites on Silica−Zirconia Mixed-Oxide Catalysts

A resonance Raman spectroscopic study of the protonation of Disperse Orange 25 in solution and adsorbed on oxide surfaces

DFT calculations of the structures and vibrational spectra of the [Fe(bpy) 3] 2+ and [Ru(bpy) 3] 2+ complexes

Adsorption of 2-chloropyridine on oxides—an infrared spectroscopic study

An infrared and resonance Raman spectroscopic study of phenylazonaphthol pigments

The surface acidity of oxides probed by IR spectroscopy of adsorbed diazines

Surface-enhanced Raman scattering studies of rhodanines: evidence for substrate surface-induced dimerization

Vibrational spectroscopy and DFT calculations of the di-amino acid peptide L-aspartyl-L-glutamic acid in the zwitterionic state

IR/Raman spectroscopy and DFT calculations of cyclic di-amino acid peptides. Part III: comparison of solid state and solution structures of cyclo(L-Ser-L-Ser)

Assignment of the low frequency modes of the catalytic surface modifier cinchonidine and its diastereomer cinchonine

A vibrational spectroscopic investigation of rhodanine and its derivatives in the solid state

Vibrational spectroscopic studies of the structure of di-amino acid peptides. Part II: cyclo(L-Asp-L-Asp) in the solid state and in aqueous solution

Vibrational spectra and structures of the anions of urazole and 4-methylurazole: DFT calculations of the normal modes and the influence of hydrogen bonding

Vibrational spectroscopy and crystal structure analysis of two polymorphs of the di-amino acid peptide cyclo(L-Glu-L-Glu)

Cyclic voltammetry and spectroelectrochemical study of nickel and cobalt diphenyltetraazaannulene complexes

Ab Initio Calculations of the Structures and Vibrational Spectra of Ethene Complexes

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