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Infrared spectra calculated by quantum chemistry with anharmonic corrections: Application to hydrogen-bonded complexes of nitric acid with various bases

Chemical physics, 2005-07, Vol.314 (1), p.159-171

Bouteiller, Y.

2005

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The vibrational spectrum of the water dimer: Comparison between anharmonic ab initio calculations and neon matrix infrared data between 14,000 and 90cm−1

Chemical physics, 2011-07, Vol.386 (1-3), p.29-40

2011

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Rotational Isomerism of Ethanol and Matrix Isolation Infrared Spectroscopy

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 1998-07, Vol.102 (29), p.5789-5793

1998

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Valence and Dipole Binding of Electrons to Uracil

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 1998-02, Vol.102 (8), p.1274-1278

1998

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Long-range electron binding to quadrupolar molecules

Physical review letters, 2004-02, Vol.92 (8), p.083003-083003, Article 083003

2004

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Determination of vibrational parameters of methanol from matrix-isolation infrared spectroscopy and ab initio calculations. Part 1 – Spectral analysis in the domain 11000–200cm−1

Chemical physics, 2008-01, Vol.343 (1), p.35-46

2008

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Critical analysis of the calculated frequency shifts of hydrogen-bonded complexes

The Journal of chemical physics, 1999-10, Vol.111 (15), p.6671-6678

1999

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The vibrational spectrum of (H 2O) 2: comparison between anharmonic ab initio calculations and neon matrix infrared data between 9000 and 90 cm −1

Chemical physics, 2004-10, Vol.305 (1), p.1-12

2004

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Aluminium, gallium and indium trihydrides. an IR matrix isolation and ab initio study

Chemical physics, 1994-07, Vol.185 (1), p.25-37

1994

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The water-methanol complexes. I: A matrix isolation study and an ab initio calculation on the 1-1 species

The Journal of chemical physics, 1993-09, Vol.99 (5), p.3335-3342

1993

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Matrix isolation infrared spectroscopy and DFT calculations of complexes between water and nitrogen

Journal of molecular structure, 1998-11, Vol.471 (1), p.37-47

1998

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Aluminium, gallium and indium dihydrides. An IR matrix isolation and ab initio study

Chemical physics, 1994-07, Vol.185 (1), p.13-24

1994

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Structure and intermolecular motions of the water dimer anion

The Journal of chemical physics, 1996-10, Vol.105 (15), p.6420-6425

1996

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Calculation of electronic affinity and vertical detachment energy of the water dimer complex using the density functional theory

The Journal of chemical physics, 1998-05, Vol.108 (19), p.7967-7972

1998

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The vibrational spectrum of the water dimer: Comparison between anharmonic ab initio calculations and neon matrix infrared data between 14,000 and 90 cm −1

Chemical physics, 2011, Vol.386 (1), p.29-40

2011

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Identification of two quanta simultaneous vibrational transitions in the dimer water trapped in inert matrices

Chemical physics, 2011-04, Vol.382 (1), p.15-19

2011

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The water-methanol complexes. Matrix induced structural conversion of the 1-1 species

Chemical physics letters, 1995-01, Vol.232 (1), p.90-98

1995

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Are the modified hybrid functional predictions reliable for the PH3–HF hydrogen bonded system?

Chemical physics, 2002-08, Vol.282 (1), p.159-160

2002

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Determination of vibrational parameters of methanol from matrix-isolation infrared spectroscopy and ab initio calculations. Part 2 – Theoretical treatment including a perturbative approach of the resonances within the methyl group

Chemical physics, 2009-06, Vol.360 (1-3), p.59-66

2009

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A density functional study of M–C2H4 complexes (M=Li, Na, K): Singularity of the Li atom

The Journal of chemical physics, 1995-12, Vol.103 (23), p.10128-10136

1995

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Methanol-acetonitrile complexes trapped in argon and nitrogen matrices: Infrared induced isomerization and theoretical calculations

The Journal of chemical physics, 1999-05, Vol.110 (20), p.10046-10057

1999

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Infrared photoisomerization of the methanol dimer trapped in argon matrix: monochromatic irradiation experiments and DFT calculations

Chemical physics, 1997-07, Vol.219 (2), p.221-234

1997

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Application of density functional methods for the study of hydrogen-bonded systems: The hydrogen fluoride dimer

The Journal of chemical physics, 1994-12, Vol.101 (11), p.9793-9799

1994

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Methodological study of Becke3-LYP density functional adapted to the determination of accurate infrared signature for hydrogen-bonded complexes

Journal of molecular structure, 1997-10, Vol.416 (1-3), p.1-9

1997

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Electronic and vibrational study of the Li 2CO complex using density functional theory

Journal of molecular structure, 1997-12, Vol.436, p.481-487

1997

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Infrared spectra calculated by quantum chemistry with anharmonic corrections: Application to hydrogen-bonded complexes of nitric acid with various bases

The vibrational spectrum of the water dimer: Comparison between anharmonic ab initio calculations and neon matrix infrared data between 14,000 and 90cm−1

Rotational Isomerism of Ethanol and Matrix Isolation Infrared Spectroscopy

Valence and Dipole Binding of Electrons to Uracil

Long-range electron binding to quadrupolar molecules

Determination of vibrational parameters of methanol from matrix-isolation infrared spectroscopy and ab initio calculations. Part 1 – Spectral analysis in the domain 11000–200cm−1

Critical analysis of the calculated frequency shifts of hydrogen-bonded complexes

The vibrational spectrum of (H 2O) 2: comparison between anharmonic ab initio calculations and neon matrix infrared data between 9000 and 90 cm −1

Aluminium, gallium and indium trihydrides. an IR matrix isolation and ab initio study

The water-methanol complexes. I: A matrix isolation study and an ab initio calculation on the 1-1 species

Matrix isolation infrared spectroscopy and DFT calculations of complexes between water and nitrogen

Aluminium, gallium and indium dihydrides. An IR matrix isolation and ab initio study

Structure and intermolecular motions of the water dimer anion

Calculation of electronic affinity and vertical detachment energy of the water dimer complex using the density functional theory

The vibrational spectrum of the water dimer: Comparison between anharmonic ab initio calculations and neon matrix infrared data between 14,000 and 90 cm −1

Identification of two quanta simultaneous vibrational transitions in the dimer water trapped in inert matrices

The water-methanol complexes. Matrix induced structural conversion of the 1-1 species

Are the modified hybrid functional predictions reliable for the PH3–HF hydrogen bonded system?

Determination of vibrational parameters of methanol from matrix-isolation infrared spectroscopy and ab initio calculations. Part 2 – Theoretical treatment including a perturbative approach of the resonances within the methyl group

A density functional study of M–C2H4 complexes (M=Li, Na, K): Singularity of the Li atom

Methanol-acetonitrile complexes trapped in argon and nitrogen matrices: Infrared induced isomerization and theoretical calculations

Infrared photoisomerization of the methanol dimer trapped in argon matrix: monochromatic irradiation experiments and DFT calculations

Application of density functional methods for the study of hydrogen-bonded systems: The hydrogen fluoride dimer

Methodological study of Becke3-LYP density functional adapted to the determination of accurate infrared signature for hydrogen-bonded complexes

Electronic and vibrational study of the Li 2CO complex using density functional theory

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