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Structural and vibrational study of 2-MethoxyEthylAmmonium Nitrate (2-OMeEAN): Interpretation of experimental results with ab initio molecular dynamics

The Journal of chemical physics, 2016-07, Vol.145 (2), p.024507-024507

2016

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FTIR spectra and density functional theory P.E.D. assignments of oxiranes in Ar matrix at 12 K

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2014-02, Vol.120, p.558

2014

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FTIR spectra and density functional theory P.E.D. assignments of oxiranes in Ar matrix at 12K

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2014-02, Vol.120, p.558-567

2014

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Gas phase dissociation of H2SO4 : A computational study

The Journal of chemical thermodynamics, 2006-11, Vol.38 (11), p.1292-1300

2006

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Chloromethyl-oxirane and chloromethyl-thiirane in liquid phase: A joint experimental and quantum chemical study

Chemical physics, 2016-07, Vol.473, p.24-31

2016

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Erratum to “FTIR spectra and density functional theory P.E.D. assignments of oxiranes in Ar matrix at 12 K” [Spectrochim. Acta A: Mol. Biomol. Spectrosc. 120 (2014) 558–567]

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2014-04, Vol.124, p.703-703

2014

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Energy-dispersive X-ray diffraction on thin films and its application to superconducting samples

Journal of applied crystallography, 2003-02, Vol.36 (1), p.43-47

2003

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Complexes of dihydroxybenzenes with carbon monoxide by DFT calculations and FT-IR matrix spectroscopy

Journal of molecular structure, 2001-01, Vol.560 (1-3), p.315-326

2001

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Conformational study of proteins by SAXS and EDXD: the case of trypsin and trypsinogen

European biophysics journal, 2001-07, Vol.30 (3), p.163-170

2001

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Infrared spectrum and theoretical study of the dinitrogen pentoxide molecule (N2O5) in solid argon

The Journal of chemical physics, 1996-05, Vol.104 (20), p.7836-7846

1996

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SO2Cl2, SOCl2 : energy dispersive X-ray diffraction, ab initio and molecular dynamics calculation

Computational materials science, 2001-03, Vol.20 (3-4), p.407-415

2001

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Impact of setting of care on pain management in patients with cancer: a multicentre cross-sectional study

Annals of oncology, 2010-10, Vol.21 (10), p.2088-2093

2010

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MP2/6-31G structural study of tropone and tropolone molecules

Journal of molecular structure, 1994-03, Vol.318, p.217-235

1994

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A new technique for the study of phase transitions by means of energy dispersive x-ray diffraction. Application to polymeric samples

Journal of macromolecular science. Physics, 1996-04, Vol.35 (2), p.199-213

1996

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Ab initio SCF study of LiClO4 and Li2SO4 molecules : geometries and vibrational frequencies

Chemical physics, 1991-03, Vol.151 (2), p.179-186

1991

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Hydrogen bonding in barbituric and 2-thiobarbituric acids: a theoretical and FT-IR study

Chemical physics, 2001-09, Vol.271 (3), p.293-308

2001

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A density functional theory study of hexafluoropropene: low-lying singlet excited states and primary photodissociation channel

Chemical physics letters, 2004-11, Vol.399 (1), p.184-189

2004

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Is pain reporting to health care professionals age-related? A cross sectional multicenter study in a hospital setting

Expert opinion on pharmacotherapy, 2013-10, Vol.14 (15), p.2011-2017

2013

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Effects of intermolecular hydrogen bonding on the molecular structure and vibrational spectrum of diacetamide

Journal of molecular structure, 1993-02, Vol.291 (2), p.219-244

1993

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Molecular aggregation phenomena in solution: an energy dispersive X-ray diffraction study of concentrated imidazole water solutions

Chemical physics letters, 1999-02, Vol.301 (1), p.131-137

1999

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Theoretical study of the stable C 2 and C s symmetry isomers of urea

Electronic journal of theoretical chemistry, 1997-01, Vol.2 (1), p.149-159

1997

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The geometries and vibrational patterns of LiClO3 and NaClO3 ion pairs : an ab initio SCF study

Chemical physics letters, 1990-10, Vol.173 (5-6), p.562-568

1990

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Ab initio study on the radical anions SO-3 and CO-2 and on the charge-transfer complexes MSO3 and MCO2 (M=Li,Na)

Chemical physics letters, 1991-05, Vol.180 (4), p.369-380

1991

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Molecular geometry and frequencies of vibration of the molecule Li2CO3

Journal of molecular structure, 1990-04, Vol.221, p.169-174

1990

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Structure and vibrational frequencies of CaF2 aggregates isolated in a low temperature matrix

Molecular physics, 1988-06, Vol.64 (3), p.513-520

1988

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Structural and vibrational study of 2-MethoxyEthylAmmonium Nitrate (2-OMeEAN): Interpretation of experimental results with ab initio molecular dynamics

FTIR spectra and density functional theory P.E.D. assignments of oxiranes in Ar matrix at 12 K

FTIR spectra and density functional theory P.E.D. assignments of oxiranes in Ar matrix at 12K

Gas phase dissociation of H2SO4 : A computational study

Chloromethyl-oxirane and chloromethyl-thiirane in liquid phase: A joint experimental and quantum chemical study

Erratum to “FTIR spectra and density functional theory P.E.D. assignments of oxiranes in Ar matrix at 12 K” [Spectrochim. Acta A: Mol. Biomol. Spectrosc. 120 (2014) 558–567]

Energy-dispersive X-ray diffraction on thin films and its application to superconducting samples

Complexes of dihydroxybenzenes with carbon monoxide by DFT calculations and FT-IR matrix spectroscopy

Conformational study of proteins by SAXS and EDXD: the case of trypsin and trypsinogen

Infrared spectrum and theoretical study of the dinitrogen pentoxide molecule (N2O5) in solid argon

SO2Cl2, SOCl2 : energy dispersive X-ray diffraction, ab initio and molecular dynamics calculation

Impact of setting of care on pain management in patients with cancer: a multicentre cross-sectional study

MP2/6-31G structural study of tropone and tropolone molecules

A new technique for the study of phase transitions by means of energy dispersive x-ray diffraction. Application to polymeric samples

Ab initio SCF study of LiClO4 and Li2SO4 molecules : geometries and vibrational frequencies

Hydrogen bonding in barbituric and 2-thiobarbituric acids: a theoretical and FT-IR study

A density functional theory study of hexafluoropropene: low-lying singlet excited states and primary photodissociation channel

Is pain reporting to health care professionals age-related? A cross sectional multicenter study in a hospital setting

Effects of intermolecular hydrogen bonding on the molecular structure and vibrational spectrum of diacetamide

Molecular aggregation phenomena in solution: an energy dispersive X-ray diffraction study of concentrated imidazole water solutions

Theoretical study of the stable C 2 and C s symmetry isomers of urea

The geometries and vibrational patterns of LiClO3 and NaClO3 ion pairs : an ab initio SCF study

Ab initio study on the radical anions SO-3 and CO-2 and on the charge-transfer complexes MSO3 and MCO2 (M=Li,Na)

Molecular geometry and frequencies of vibration of the molecule Li2CO3

Structure and vibrational frequencies of CaF2 aggregates isolated in a low temperature matrix

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