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Infrared Spectroscopy and Density Functional Theory Investigations of the Reactivity of Titanium Atoms with Carbon Monoxide and Water Isolated in Solid Argon: Sequential Evolution from Triplet to Singlet State

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2020-03, Vol.124 (10), p.1973-1980

2020

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Infrared Spectroscopy and Density Functional Theory Investigations of PdTi Heterodimer Reactivity with Carbon Monoxide Isolated in Solid Argon

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2019-06, Vol.123 (25), p.5309-5316

2019

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Conformational Landscape of the 1/1 Diacetyl/Water Complex Investigated by Infrared Spectroscopy and ab Initio Calculations

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2017-01, Vol.121 (1), p.88-97

2017

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Synthesis, High-Resolution Infrared Spectroscopy, and Vibrational Structure of Cubane, C8H8

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2016-06, Vol.120 (25), p.4418-4428

2016

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The (CH2)2O−H2O Hydrogen Bonded Complex. Ab Initio Calculations and Fourier Transform Infrared Spectroscopy from Neon Matrix and a New Supersonic Jet Experiment Coupled to the Infrared AILES Beamline of Synchrotron SOLEIL

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2011-03, Vol.115 (12), p.2523-2532

2011

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A Combined Experimental and Theoretical Study of the Ti2 + N2O Reaction

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2014-01, Vol.118 (3), p.561-572

2014

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Intermolecular vibrations of (CH2)2O-HF and -DF hydrogen bonded complexes investigated by Fourier transform infrared spectroscopy and ab initio calculations

Physical chemistry chemical physics : PCCP, 2010-10, Vol.12 (38), p.12299-1237

2010

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Axial and equatorial hydrogen-bond conformers between (CH2)3S and H(D)F: Fourier transform infrared spectroscopy and ab initio calculations

Physical chemistry chemical physics : PCCP, 2011-08, Vol.13 (31), p.14202-14214

2011

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What Can Tell the Topological Analysis of ELF on Hydrogen Bonding?

Structural chemistry, 2005-06, Vol.16 (3), p.203-210

2005

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Ab initio study of (H2O)1,2 . HCl: accurate energetic and frequency shift of HCl

Physical chemistry chemical physics : PCCP, 2003-01, Vol.5 (12), p.2494-2498

2003

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Neon-matrix spectroscopic and theoretical studies of the reactivity of titanium dimer with diatomic ligands: comparison of reactions with nitrogen and carbon monoxide

Physical chemistry chemical physics : PCCP, 2009-01, Vol.11 (42), p.9831-9839

2009

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Double π-hole tetrel-chalcogen interactions can lead to stable molecular heterodimer

Molecular physics, 2016-04, Vol.114 (7-8), p.1317-1325

2016

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Topological insights into the 1/1 diacetyl/water complex gained using a new methodological approach

Journal of molecular modeling, 2015-08, Vol.21 (8), p.214-214, Article 214

2015

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Vibrational Spectra of PtCO and Pt(CO)2 Isolated in Solid Argon: Trends in Unsaturated Group 10 Metal Carbonyl Molecules

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2000-04, Vol.104 (16), p.3750-3758

2000

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A DFT Study of the Mechanism of the Spontaneous Activation of H2 by Ni, Pd, Pt, and Pd2

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2003-07, Vol.107 (27), p.5352-5355

2003

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Bonding Nature and Vibrational Signatures of Oxirane:(Water) n=1–3. Assessment of the Performance of the Dispersion-Corrected DFT Methods Compared to the ab initio Results and Fourier Transform Infrared Experimental Data

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2011-06, Vol.115 (24), p.6688-6701

2011

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Infrared-Induced Isomerization of Ethanol Dimers Trapped in Argon and Nitrogen Matrices: Monochromatic Irradiation Experiments and DFT Calculations

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2000-06, Vol.104 (23), p.5475-5483

2000

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Theoretical study of the HCN–CH3 and HNC–CH3 radicals: Hydrogen and covalent bonding

Chemical physics letters, 2005-05, Vol.406 (4-6), p.351-354

2005

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Evidence of an isomeric pair in furan...HCl: Fourier transform infrared spectroscopy and ab initio calculations

The Journal of chemical physics, 2008-06, Vol.128 (24), p.244301-244301-7

2008

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Spectra and structures of the Pdm-CO complexes: An infrared matrix isolation and density functional study

Journal of molecular spectroscopy, 2019-07, Vol.361, p.8-15

2019

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Double [pi]-hole tetrel-chalcogen interactions can lead to stable molecular heterodimer

Molecular physics, 2016-04, Vol.114 (7-8), p.1317

2016

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The vibrational spectrum of the water trimer: Comparison between anharmonic ab initio calculations and neon matrix infrared data between 11,000 and 90 cm −1

Chemical physics, 2010-12, Vol.378 (1), p.27-36

2010

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Topological characterization of the isomerization mechanisms in XNO (X=H, Cl)

Chemical physics letters, 1998-07, Vol.292 (1), p.35-45

1998

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Conformational Landscape of the 1/1 Diacetyl/Water Complex Investigated by Infrared Spectroscopy and ab Initio Calculations

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2016-12, Vol.121, p.88-97

2016

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Experimental and Theoretical Study of the XYO (X, Y = Cl, Br) Light-Induced Interconversion in Argon Matrix

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 1998-10, Vol.102 (43), p.8222-8229

1998

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Infrared Spectroscopy and Density Functional Theory Investigations of the Reactivity of Titanium Atoms with Carbon Monoxide and Water Isolated in Solid Argon: Sequential Evolution from Triplet to Singlet State

Infrared Spectroscopy and Density Functional Theory Investigations of PdTi Heterodimer Reactivity with Carbon Monoxide Isolated in Solid Argon

Conformational Landscape of the 1/1 Diacetyl/Water Complex Investigated by Infrared Spectroscopy and ab Initio Calculations

Synthesis, High-Resolution Infrared Spectroscopy, and Vibrational Structure of Cubane, C8H8

The (CH2)2O−H2O Hydrogen Bonded Complex. Ab Initio Calculations and Fourier Transform Infrared Spectroscopy from Neon Matrix and a New Supersonic Jet Experiment Coupled to the Infrared AILES Beamline of Synchrotron SOLEIL

A Combined Experimental and Theoretical Study of the Ti2 + N2O Reaction

Intermolecular vibrations of (CH2)2O-HF and -DF hydrogen bonded complexes investigated by Fourier transform infrared spectroscopy and ab initio calculations

Axial and equatorial hydrogen-bond conformers between (CH2)3S and H(D)F: Fourier transform infrared spectroscopy and ab initio calculations

What Can Tell the Topological Analysis of ELF on Hydrogen Bonding?

Ab initio study of (H2O)1,2 . HCl: accurate energetic and frequency shift of HCl

Neon-matrix spectroscopic and theoretical studies of the reactivity of titanium dimer with diatomic ligands: comparison of reactions with nitrogen and carbon monoxide

Double π-hole tetrel-chalcogen interactions can lead to stable molecular heterodimer

Topological insights into the 1/1 diacetyl/water complex gained using a new methodological approach

Vibrational Spectra of PtCO and Pt(CO)2 Isolated in Solid Argon: Trends in Unsaturated Group 10 Metal Carbonyl Molecules

A DFT Study of the Mechanism of the Spontaneous Activation of H2 by Ni, Pd, Pt, and Pd2

Bonding Nature and Vibrational Signatures of Oxirane:(Water) n=1–3. Assessment of the Performance of the Dispersion-Corrected DFT Methods Compared to the ab initio Results and Fourier Transform Infrared Experimental Data

Infrared-Induced Isomerization of Ethanol Dimers Trapped in Argon and Nitrogen Matrices: Monochromatic Irradiation Experiments and DFT Calculations

Theoretical study of the HCN–CH3 and HNC–CH3 radicals: Hydrogen and covalent bonding

Evidence of an isomeric pair in furan...HCl: Fourier transform infrared spectroscopy and ab initio calculations

Spectra and structures of the Pdm-CO complexes: An infrared matrix isolation and density functional study

Double [pi]-hole tetrel-chalcogen interactions can lead to stable molecular heterodimer

The vibrational spectrum of the water trimer: Comparison between anharmonic ab initio calculations and neon matrix infrared data between 11,000 and 90 cm −1

Topological characterization of the isomerization mechanisms in XNO (X=H, Cl)

Conformational Landscape of the 1/1 Diacetyl/Water Complex Investigated by Infrared Spectroscopy and ab Initio Calculations

Experimental and Theoretical Study of the XYO (X, Y = Cl, Br) Light-Induced Interconversion in Argon Matrix

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