Lista de obras - Jean Demaison - Dominio Público Uruguay

(12)C2H2-Ar van der Waals complex

artículo científico publicado en 2009

Ab initio and experimental studies of the large-amplitude motion in BF2OH

scientific article published on 31 January 2008

Accurate determination of the deformation of the benzene ring upon substitution: equilibrium structures of benzonitrile and phenylacetylene.

artículo científico publicado en 2013

Accurate equilibrium structures for piperidine and cyclohexane

artículo científico publicado en 2014

Accurate semiexperimental structure of 1,3,4-oxadiazole by the mixed estimation method.

artículo científico publicado en 2013

Anharmonic force field of cis- and trans-formic acid from high-level ab initio calculations, and analysis of resonance polyads

scientific article published on 01 April 2007

Anharmonic force field, structure, and thermochemistry of CF2 and CCl2Electronic supplementary information (ESI) available: Force constants and thermochemical properties of CF2 and CCl2. See http://www.rsc.org/suppdata/cp/b2/b202865d/

Bismuthine BiH3: Fact or Fiction? High-Resolution Infrared, Millimeter-Wave, and Ab Initio Studies

artículo científico publicado en 2002

Centrifugal Distortion Analysis of a Near-Spherical Top, SO(2)F(2): The First Determination of All Six Quartic Centrifugal Distortion Constants for an Asymmetric Top.

artículo científico publicado en 2000

Chlorofluoroiodomethane as a potential candidate for parity violation measurements.

artículo científico publicado en 2005

Comparison of the experimental, semi-experimental and ab initio equilibrium structures of acetylene: influence of relativisitic effects and of the diagonal Born-Oppenheimer corrections.

artículo científico publicado en 2011

Conformational flexibility in hydrated sugars: the glycolaldehyde-water complex

artículo científico publicado en 2006

Electron delocalization in polyenes: a semiexperimental equilibrium structure for (3E)-1,3,5-hexatriene and theoretical structures for (3Z,5Z)-, (3E,5E)-, and (3E,5Z)-1,3,5,7-octatetraene

artículo científico publicado en 2014

Equilibrium structure and torsional barrier of BH3NH3

artículo científico publicado en 2008

Equilibrium structure of sulfuric acid

artículo científico publicado en 2007

Equilibrium structures of three-, four-, five-, six-, and seven-membered unsaturated N-containing heterocycles

artículo científico publicado en 2014

Equilibrium vs ground-state planarity of the CONH linkage

artículo científico publicado en 2007

Experimental and ab Initio Equilibrium Structure and Harmonic Force Field of 1,2,5-Oxadiazole

artículo científico publicado en 2001

Experimental and ab initio structure of BrN02

Gas-phase vibrational spectroscopy and ab initio study of organophosphorus compounds: discrimination between species and conformers.

artículo científico publicado en 2008

Ground-state constants, ab initio anharmonic force field, and equilibrium structure of F2BOH

High-Resolution Infrared Spectroscopy oftrans-andcis-H18ON18O: Equilibrium Structures of the Nitrous Acid Isomers

artículo científico publicado en 2008

High-Resolution Infrared and Millimeter-Wave Study of D(3)SiF: The Ground and v(3)=1 States of the (29)Si and (30)Si Species, and the v(3)=v(6)=1 and v(3)=2 States of D(3) (28)SiF.

artículo científico publicado en 2001

High-Resolution Infrared and Millimeter-Wave Study of the Fermi-Coupled v(2) = 1 and v(3) = 2 States of DSiF(3)

scientific article published on 01 January 2001

How flexible is the disulfide linker? A combined rotational-computational investigation of diallyl disulfide

artículo científico publicado en 2019

IUPAC Critical Evaluation of Thermochemical Properties of Selected Radicals. Part I

article

Interplay of experiment and theory: high resolution infrared spectrum and accurate equilibrium structure of BF2OH

artículo científico publicado en 2015

Lowest-Lying Conformers of Alanine: Pushing Theory to Ascertain Precise Energetics and Semiexperimental Re Structures.

artículo científico publicado en 2010

Microwave and high resolution infrared spectra of vinyl chloride, ab initio anharmonic force field and equilibrium structure

Microwave spectrum, structure, and quantum chemical studies of a compound of potential astrochemical and astrobiological interest: Z-3-amino-2-propenenitrile

artículo científico publicado en 2006

Microwave, Submillimeter-Wave, and High-Resolution FTIR Study of SO(2)F(2) in the nu(8) State

scientific article published on 01 October 2000

Millimeter-Wave Spectroscopy, High-Resolution Infrared Spectrum, ab Initio Calculations, and Molecular Geometry of FPS

Millimeter-wave spectroscopy, high resolution infrared spectrum, ab initio calculations, and molecular geometry of FPO

Millimeterwave rotational spectrum and internal rotation in o-chlorotoluene

Rotational spectrum of NSF3 in the ground and v5 = 1 vibrational states: observation of Q-branch perturbation-allowed transitions with delta(k - l) = 0, +/-3, +/-6 and anomalies in the rovibrational structure of the v5 = 1 state

artículo científico publicado en 2009

Rovibrational and Rotational Spectroscopy of Levels of Propyne around 1000 cm(-1)

scientific article published on 01 April 2001

Semiexperimental and mass-dependent structures by the mixed regression method: Accurate equilibrium structure and failure of the Kraitchman method for ethynylcyclohexane

artículo científico publicado en 2018

Semiexperimental equilibrium structure for cis,trans-1,4-difluorobutadiene by the mixed estimation method.

artículo científico publicado en 2011

Semiexperimental equilibrium structure of the lower energy conformer of glycidol by the mixed estimation method

artículo científico publicado en 2012

Semiexperimental equilibrium structures for cis,cis- and trans,trans-1,4-difluorobutadiene by the mixed estimation method and definitive relative energies of the isomers.

artículo científico publicado en 2013

Semiexperimental equilibrium structures for the equatorial conformers of N-methylpiperidone and tropinone by the mixed estimation method.

artículo científico publicado en 2012

Spectroscopy of the formaldehyde isotopomer H213CO in the microwave to terahertz region

Structural and conformational properties of 1,2-propadienylphosphine (allenylphosphine) studied by microwave spectroscopy and quantum chemical calculations

artículo científico publicado en 2005

Structural and conformational properties of 2-propenylgermane (allylgermane) studied by microwave and infrared spectroscopy and quantum chemical calculations

scientific article published on 01 May 2005

Structural and conformational properties of 2-propynylphosphine (propargylphosphine) as studied by microwave spectroscopy supplemented by quantum chemical calculations.

artículo científico publicado en 2001

The 14–22μm absorption spectrum of nitrous acid studied by high-resolution Fourier-transform spectroscopy: New analysis of the ν5 and ν6 interacting bands of trans-HONO and first analysis of the ν6 band of cis-HONO

The Ground State Spectroscopic Constants of Formaldehyde

artículo científico publicado en 2000

The Ground and First Excited Torsional States of Acetic Acid

artículo científico publicado en 2001

The Millimeter-Wave Spectrum of 2,3-Dihydrofuran

scientific article published on 01 December 1996

The Rotational Spectrum of H2Te

artículo científico publicado en 1996

The S-S Bridge: A Mixed Experimental-Computational Estimation of the Equilibrium Structure of Diphenyl Disulfide

artículo científico publicado en 2018

The Si–H stretching–bending overtone polyads of SiHF3: Assignments, band intensities, internal coordinate force field, and ab initio dipole moment surfaces

article published in 2001

The Submillimeter-Wave Spectrum and Quantum Chemical Calculations of Glyoxylic Acid.

artículo científico publicado en 2001

The case of the weak N-X bond: Ab initio, semi-experimental, and experimental equilibrium structures of XNO (X = H, F, Cl, OH) and FNO2.

artículo científico publicado en 2006

The chiral molecule CHClFI: first determination of its molecular parameters by Fourier transform microwave and millimeter-wave spectroscopies supplemented by ab initio calculations.

artículo científico publicado en 2005

The equilibrium molecular structures of 2-deoxyribose and fructose by the semiexperimental mixed estimation method and coupled-cluster computations

artículo científico publicado en 2016

The ground state rotational spectrum of SO2F2

The microwave spectrum of a two-top peptide mimetic: the N-acetyl alanine methyl ester molecule

artículo científico publicado en 2006

Lista de obras de Jean Demaison

(12)C2H2-Ar van der Waals complex

Ab initio and experimental studies of the large-amplitude motion in BF2OH

Accurate determination of the deformation of the benzene ring upon substitution: equilibrium structures of benzonitrile and phenylacetylene.

Accurate equilibrium structures for piperidine and cyclohexane

Accurate semiexperimental structure of 1,3,4-oxadiazole by the mixed estimation method.

Anharmonic force field of cis- and trans-formic acid from high-level ab initio calculations, and analysis of resonance polyads

Anharmonic force field, structure, and thermochemistry of CF2 and CCl2Electronic supplementary information (ESI) available: Force constants and thermochemical properties of CF2 and CCl2. See http://www.rsc.org/suppdata/cp/b2/b202865d/

Bismuthine BiH3: Fact or Fiction? High-Resolution Infrared, Millimeter-Wave, and Ab Initio Studies

Centrifugal Distortion Analysis of a Near-Spherical Top, SO(2)F(2): The First Determination of All Six Quartic Centrifugal Distortion Constants for an Asymmetric Top.

Chlorofluoroiodomethane as a potential candidate for parity violation measurements.

Comparison of the experimental, semi-experimental and ab initio equilibrium structures of acetylene: influence of relativisitic effects and of the diagonal Born-Oppenheimer corrections.

Conformational flexibility in hydrated sugars: the glycolaldehyde-water complex

Electron delocalization in polyenes: a semiexperimental equilibrium structure for (3E)-1,3,5-hexatriene and theoretical structures for (3Z,5Z)-, (3E,5E)-, and (3E,5Z)-1,3,5,7-octatetraene

Equilibrium structure and torsional barrier of BH3NH3

Equilibrium structure of sulfuric acid

Equilibrium structures of three-, four-, five-, six-, and seven-membered unsaturated N-containing heterocycles

Equilibrium vs ground-state planarity of the CONH linkage

Experimental and ab Initio Equilibrium Structure and Harmonic Force Field of 1,2,5-Oxadiazole

Experimental and ab initio structure of BrN02

Gas-phase vibrational spectroscopy and ab initio study of organophosphorus compounds: discrimination between species and conformers.

Ground-state constants, ab initio anharmonic force field, and equilibrium structure of F2BOH

High-Resolution Infrared Spectroscopy oftrans-andcis-H18ON18O: Equilibrium Structures of the Nitrous Acid Isomers

High-Resolution Infrared and Millimeter-Wave Study of D(3)SiF: The Ground and v(3)=1 States of the (29)Si and (30)Si Species, and the v(3)=v(6)=1 and v(3)=2 States of D(3) (28)SiF.

High-Resolution Infrared and Millimeter-Wave Study of the Fermi-Coupled v(2) = 1 and v(3) = 2 States of DSiF(3)

How flexible is the disulfide linker? A combined rotational-computational investigation of diallyl disulfide

IUPAC Critical Evaluation of Thermochemical Properties of Selected Radicals. Part I

Interplay of experiment and theory: high resolution infrared spectrum and accurate equilibrium structure of BF2OH

Lowest-Lying Conformers of Alanine: Pushing Theory to Ascertain Precise Energetics and Semiexperimental Re Structures.

Microwave and high resolution infrared spectra of vinyl chloride, ab initio anharmonic force field and equilibrium structure

Microwave spectrum, structure, and quantum chemical studies of a compound of potential astrochemical and astrobiological interest: Z-3-amino-2-propenenitrile

Microwave, Submillimeter-Wave, and High-Resolution FTIR Study of SO(2)F(2) in the nu(8) State

Millimeter-Wave Spectroscopy, High-Resolution Infrared Spectrum, ab Initio Calculations, and Molecular Geometry of FPS

Millimeter-wave spectroscopy, high resolution infrared spectrum, ab initio calculations, and molecular geometry of FPO

Millimeterwave rotational spectrum and internal rotation in o-chlorotoluene

Rotational spectrum of NSF3 in the ground and v5 = 1 vibrational states: observation of Q-branch perturbation-allowed transitions with delta(k - l) = 0, +/-3, +/-6 and anomalies in the rovibrational structure of the v5 = 1 state

Rovibrational and Rotational Spectroscopy of Levels of Propyne around 1000 cm(-1)

Semiexperimental and mass-dependent structures by the mixed regression method: Accurate equilibrium structure and failure of the Kraitchman method for ethynylcyclohexane

Semiexperimental equilibrium structure for cis,trans-1,4-difluorobutadiene by the mixed estimation method.

Semiexperimental equilibrium structure of the lower energy conformer of glycidol by the mixed estimation method

Semiexperimental equilibrium structures for cis,cis- and trans,trans-1,4-difluorobutadiene by the mixed estimation method and definitive relative energies of the isomers.

Semiexperimental equilibrium structures for the equatorial conformers of N-methylpiperidone and tropinone by the mixed estimation method.

Spectroscopy of the formaldehyde isotopomer H213CO in the microwave to terahertz region

Structural and conformational properties of 1,2-propadienylphosphine (allenylphosphine) studied by microwave spectroscopy and quantum chemical calculations

Structural and conformational properties of 2-propenylgermane (allylgermane) studied by microwave and infrared spectroscopy and quantum chemical calculations

Structural and conformational properties of 2-propynylphosphine (propargylphosphine) as studied by microwave spectroscopy supplemented by quantum chemical calculations.

The 14–22μm absorption spectrum of nitrous acid studied by high-resolution Fourier-transform spectroscopy: New analysis of the ν5 and ν6 interacting bands of trans-HONO and first analysis of the ν6 band of cis-HONO

The Ground State Spectroscopic Constants of Formaldehyde

The Ground and First Excited Torsional States of Acetic Acid

The Millimeter-Wave Spectrum of 2,3-Dihydrofuran

The Rotational Spectrum of H2Te

The S-S Bridge: A Mixed Experimental-Computational Estimation of the Equilibrium Structure of Diphenyl Disulfide

The Si–H stretching–bending overtone polyads of SiHF3: Assignments, band intensities, internal coordinate force field, and ab initio dipole moment surfaces

The Submillimeter-Wave Spectrum and Quantum Chemical Calculations of Glyoxylic Acid.

The case of the weak N-X bond: Ab initio, semi-experimental, and experimental equilibrium structures of XNO (X = H, F, Cl, OH) and FNO2.

The chiral molecule CHClFI: first determination of its molecular parameters by Fourier transform microwave and millimeter-wave spectroscopies supplemented by ab initio calculations.

The equilibrium molecular structures of 2-deoxyribose and fructose by the semiexperimental mixed estimation method and coupled-cluster computations

The ground state rotational spectrum of SO2F2

The microwave spectrum of a two-top peptide mimetic: the N-acetyl alanine methyl ester molecule