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Novel methodology for systematically constructing global effective models from ab initio-based surfaces: A new insight into high-resolution molecular spectra analysis

The Journal of chemical physics, 2022-06, Vol.156 (22), p.224103-224103

Rey, Michael

2022

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Group-theoretical formulation of an Eckart-frame kinetic energy operator in curvilinear coordinates for polyatomic molecules

The Journal of chemical physics, 2019-07, Vol.151 (2), p.024101-024101

Rey, Michael

2019

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A numerical-tensorial “hybrid” nuclear motion Hamiltonian and dipole moment operator for spectra calculation of polyatomic nonrigid molecules

The Journal of chemical physics, 2023-09, Vol.159 (11)

2023

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An Accurate, Extensive, and Practical Line List of Methane for the HITEMP Database

The Astrophysical journal. Supplement series, 2020-04, Vol.247 (2), p.55

2020

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New Ab Initio Potential Energy Surfaces for NH3 Constructed from Explicitly Correlated Coupled-Cluster Methods

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2021-12, Vol.125 (49), p.10568-10579

2021

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New Theoretical Infrared Line List for the Methyl Radical with Accurate Vibrational Band Origins from High-Level Ab Initio Calculations

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2022-09, Vol.126 (37), p.6429-6442

2022

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A global view of isotopic effects on ro-vibrational spectra of six-atomic molecules: a case study of eleven ethylene species

Physical chemistry chemical physics : PCCP, 2020-02, Vol.22 (6), p.324-3216

2020

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Cystic Fibrosis: Emerging Understanding and Therapies

Annual review of medicine, 2019-01, Vol.70 (1), p.197-210

2019

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Jet-cooled ethylene cavity ring-down spectroscopy between 5880 and 6200 cm−1

Journal of quantitative spectroscopy & radiative transfer, 2024-09, Vol.324, p.109065, Article 109065

2024

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Accurate ab initio potential energy surface, rovibrational energy levels and resonance interactions of triplet (X~3B1) methylene

Journal of computational chemistry, 2024-01, Vol.45 (2), p.83-100

2024

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Non-LTE spectroscopy of the tetradecad region of methane recorded in a hypersonic flow

Icarus (New York, N.Y. 1962), 2023-04, Vol.394, p.115421, Article 115421

2023

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Accurate Spectroscopic Models for Methane Polyads Derived from a Potential Energy Surface Using High-Order Contact Transformations

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-12, Vol.117 (50), p.13779-13805

2013

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Growing mold together–moving beyond standard cultures in assessing fungi in the CF airway

Journal of cystic fibrosis, 2021-03, Vol.20 (2), p.191-192

2021

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Partition sums for non-local thermodynamic equilibrium conditions for nine molecules of importance in planetary atmospheres

Icarus (New York, N.Y. 1962), 2022-05, Vol.378, p.114947, Article 114947

2022

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High-level ab initio study of disulfur monoxide: Ground state potential energy surface and band origins for six isotopic species

Chemical physics letters, 2023-01, Vol.811, p.140216, Article 140216

2023

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First Full-Dimensional Potential Energy and Dipole Moment Surfaces of SF6

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2020-09, Vol.124 (35), p.7014-7023

2020

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Collimonas rhizosphaerae sp. nov., a novel species isolated from the beech rhizosphere

International journal of systematic and evolutionary microbiology, 2024-07, Vol.74 (7)

2024

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Derivation of ρ-dependent coordinate transformations for nonrigid molecules in the Hougen–Bunker–Johns formalism

The Journal of chemical physics, 2020-08, Vol.153 (8), p.084102-084102

2020

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First Ab Initio Line Lists for Triatomic Sulfur-Containing Molecules: S2O and S3

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2024-09, Vol.128 (38), p.8144-8158

2024

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Towards a complete elucidation of the ro-vibrational band structure in the SF 6 infrared spectrum from full quantum-mechanical calculations

Physical chemistry chemical physics : PCCP, 2021-06, Vol.23 (21), p.12115-12126

2021

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Symmetry effects in rotationally resolved spectra of bi-deuterated ethylene: Theoretical line intensities of cis, trans, and as-C 2 H 2 D 2 isotopomers

The Journal of chemical physics, 2019-05, Vol.150 (19), p.194303

2019

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Assignment and modeling of the 13CH4 cold absorption spectrum in the 5471–5852 cm−1 spectral range

Journal of quantitative spectroscopy & radiative transfer, 2019-09, Vol.235, p.278-286

2019

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New Comorbidities in the Changing Face of Cystic Fibrosis Care

Journal of cystic fibrosis, 2017-11, Vol.16 (6), p.647-648

2017

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Tracking the roots of cellulase hyperproduction by the fungus Trichoderma reesei using massively parallel DNA sequencing

Proceedings of the National Academy of Sciences - PNAS, 2009-09, Vol.106 (38), p.16151-16156

2009

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Neuromagnetic Oscillations Predict Evoked-Response Latency Delays and Core Language Deficits in Autism Spectrum Disorders

Journal of autism and developmental disorders, 2015-02, Vol.45 (2), p.395-405

2015

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Novel methodology for systematically constructing global effective models from ab initio-based surfaces: A new insight into high-resolution molecular spectra analysis

Group-theoretical formulation of an Eckart-frame kinetic energy operator in curvilinear coordinates for polyatomic molecules

A numerical-tensorial “hybrid” nuclear motion Hamiltonian and dipole moment operator for spectra calculation of polyatomic nonrigid molecules

An Accurate, Extensive, and Practical Line List of Methane for the HITEMP Database

New Ab Initio Potential Energy Surfaces for NH3 Constructed from Explicitly Correlated Coupled-Cluster Methods

New Theoretical Infrared Line List for the Methyl Radical with Accurate Vibrational Band Origins from High-Level Ab Initio Calculations

A global view of isotopic effects on ro-vibrational spectra of six-atomic molecules: a case study of eleven ethylene species

Cystic Fibrosis: Emerging Understanding and Therapies

Jet-cooled ethylene cavity ring-down spectroscopy between 5880 and 6200 cm−1

Accurate ab initio potential energy surface, rovibrational energy levels and resonance interactions of triplet (X~3B1) methylene

Non-LTE spectroscopy of the tetradecad region of methane recorded in a hypersonic flow

Accurate Spectroscopic Models for Methane Polyads Derived from a Potential Energy Surface Using High-Order Contact Transformations

Growing mold together–moving beyond standard cultures in assessing fungi in the CF airway

Partition sums for non-local thermodynamic equilibrium conditions for nine molecules of importance in planetary atmospheres

High-level ab initio study of disulfur monoxide: Ground state potential energy surface and band origins for six isotopic species

First Full-Dimensional Potential Energy and Dipole Moment Surfaces of SF6

Collimonas rhizosphaerae sp. nov., a novel species isolated from the beech rhizosphere

Derivation of ρ-dependent coordinate transformations for nonrigid molecules in the Hougen–Bunker–Johns formalism

First Ab Initio Line Lists for Triatomic Sulfur-Containing Molecules: S2O and S3

Towards a complete elucidation of the ro-vibrational band structure in the SF 6 infrared spectrum from full quantum-mechanical calculations

Symmetry effects in rotationally resolved spectra of bi-deuterated ethylene: Theoretical line intensities of cis, trans, and as-C 2 H 2 D 2 isotopomers

Assignment and modeling of the 13CH4 cold absorption spectrum in the 5471–5852 cm−1 spectral range

New Comorbidities in the Changing Face of Cystic Fibrosis Care

Tracking the roots of cellulase hyperproduction by the fungus Trichoderma reesei using massively parallel DNA sequencing

Neuromagnetic Oscillations Predict Evoked-Response Latency Delays and Core Language Deficits in Autism Spectrum Disorders

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