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Equilibrium Structure of Free Molecules: Theory, Experiment, and Data Analysis

1, 2023

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Accurate Structure Determination of Free Molecules

1, 2020

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

The Journal of chemical physics, 2011-02, Vol.134 (6), p.064119-064119-8

2011

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Rotational Spectrum and Tentative Detection of DCOOCH3-Methyl Formate in Orion

The Astrophysical journal, 2010-05, Vol.714 (2), p.1120-1132

2010

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

Journal of physical and chemical reference data, 2005-06, Vol.34 (2), p.573-656

2005

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

The Journal of chemical physics, 2007-04, Vol.126 (16), p.164305-164305-9

2007

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Experimental, semi-experimental and ab initio equilibrium structures

Molecular physics, 2007-12, Vol.105 (23-24), p.3109-3138

Demaison, J.

2007

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Soil CO2 concentration and efflux as affected by heavy traffic in forest in northeast France

European journal of soil science, 2012-04, Vol.63 (2), p.261-271

2012

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Accurate ground-state potential energy surfaces of the C2H2-Kr and C2H2-Xe van der Waals complexes

Molecular physics, 2012-11, Vol.110 (21-22), p.2751-2760

2012

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Gas-Phase Vibrational Spectroscopy and Ab Initio Study of Organophosphorous Compounds: Discrimination between Species and Conformers

The journal of physical chemistry. B, 2008-10, Vol.112 (39), p.12516-12525

2008

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Reinvestigation of the ground and first torsional state of methylformate

Journal of molecular spectroscopy, 2007-12, Vol.246 (2), p.158-166

2007

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(12)C2H2-Ar van der Waals complex

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2009-03, Vol.113 (11), p.2359-2365

2009

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Equilibrium Structure of Sulfuric Acid

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2007-04, Vol.111 (13), p.2602-2609

2007

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Global Assignment and Extension of Millimeter- and Submillimeter-wave Spectral Database of 13C1-methyl Formate (H13COOCH3) in the Ground and First Excited States

The Astrophysical journal. Supplement series, 2010-10, Vol.190 (2), p.315-jQuery1323920476880='47'

2010

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High resolution FTIR spectrum of cyanogen iodide between 200 and 5000cm−1. Global rovibrational analysis of IR and MW data for I12C14N

Journal of quantitative spectroscopy & radiative transfer, 2012-07, Vol.113 (11), p.1170-1194

2012

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Accurate determination of an equilibrium structure in the presence of a small coordinate: The case of dimethylsulfide

Journal of molecular structure, 2010-08, Vol.978 (1), p.229-233

2010

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High-Resolution Infrared Spectroscopy of trans- and cis-H18ON18O: Equilibrium Structures of the Nitrous Acid Isomers

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2008-10, Vol.112 (42), p.10697-10702

2008

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New vibrational assignments for the ν 1 to ν 17 vibrational modes of aziridine and first analysis of the high-resolution infrared spectrum of aziridine between 720 and 1050 cm−1

Molecular physics, 2011-09, Vol.109 (17-18), p.2153-2161

2011

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The equilibrium N–H bond length

Chemical physics, 2000-10, Vol.260 (1), p.65-81

2000

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Equilibrium structure and force field of NH2

Physical chemistry chemical physics : PCCP, 2003-08, Vol.5 (16), p.3359-3363

2003

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Molecular line parameters for the MASTER (millimeter wave acquisitions for stratosphere/troposphere exchange research) database

Journal of atmospheric chemistry, 2005-06, Vol.51 (2), p.161-205

2005

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Rotational spectrum of 13C2-methyl formate (HCOO13CH3) and detection of the two 13C-methyl formate in Orion

Astronomy and astrophysics (Berlin), 2009-06, Vol.500 (3), p.1109-1118

2009

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The spectrum of ethylene from microwave to submillimetre-wave

Molecular physics, 2006-01, Vol.104 (2), p.273-292

2006

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Equilibrium C−F Bond Length and the Structure of Formyl Fluoride, Difluorocarbene, Monofluoromethylene, and Difluoromethane

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 1999-09, Vol.103 (38), p.7632-7638

1999

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Ab initio anharmonic force field, molecular parameters, equilibrium structure and enthalpy of formation of fluoroform

Molecular physics, 2004-08, Vol.102 (16-17), p.1827-1841

2004

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Equilibrium Structure of Free Molecules: Theory, Experiment, and Data Analysis

Accurate Structure Determination of Free Molecules

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

Rotational Spectrum and Tentative Detection of DCOOCH3-Methyl Formate in Orion

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

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

Experimental, semi-experimental and ab initio equilibrium structures

Soil CO2 concentration and efflux as affected by heavy traffic in forest in northeast France

Accurate ground-state potential energy surfaces of the C2H2-Kr and C2H2-Xe van der Waals complexes

Gas-Phase Vibrational Spectroscopy and Ab Initio Study of Organophosphorous Compounds: Discrimination between Species and Conformers

Reinvestigation of the ground and first torsional state of methylformate

(12)C2H2-Ar van der Waals complex

Equilibrium Structure of Sulfuric Acid

Global Assignment and Extension of Millimeter- and Submillimeter-wave Spectral Database of 13C1-methyl Formate (H13COOCH3) in the Ground and First Excited States

High resolution FTIR spectrum of cyanogen iodide between 200 and 5000cm−1. Global rovibrational analysis of IR and MW data for I12C14N

Accurate determination of an equilibrium structure in the presence of a small coordinate: The case of dimethylsulfide

High-Resolution Infrared Spectroscopy of trans- and cis-H18ON18O: Equilibrium Structures of the Nitrous Acid Isomers

New vibrational assignments for the ν 1 to ν 17 vibrational modes of aziridine and first analysis of the high-resolution infrared spectrum of aziridine between 720 and 1050 cm−1

The equilibrium N–H bond length

Equilibrium structure and force field of NH2

Molecular line parameters for the MASTER (millimeter wave acquisitions for stratosphere/troposphere exchange research) database

Rotational spectrum of 13C2-methyl formate (HCOO13CH3) and detection of the two 13C-methyl formate in Orion

The spectrum of ethylene from microwave to submillimetre-wave

Equilibrium C−F Bond Length and the Structure of Formyl Fluoride, Difluorocarbene, Monofluoromethylene, and Difluoromethane

Ab initio anharmonic force field, molecular parameters, equilibrium structure and enthalpy of formation of fluoroform

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