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Rovibrational states calculations of the H2O–HCN heterodimer with the multiconfiguration time dependent Hartree method

Physical chemistry chemical physics : PCCP, 2023-01, Vol.25 (46), p.31813-31824

2023

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Mixed quantum/classical theory for inelastic scattering of asymmetric-top-rotor + atom in the body-fixed reference frame and application to the H₂O + He system

The Journal of chemical physics, 2014-09, Vol.141 (11), p.114304-114304

2014

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Theoretical study of HCN-water interaction: five dimensional potential energy surfaces

Physical chemistry chemical physics : PCCP, 2017-03, Vol.19 (9), p.6849-686

2017

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Rotational quenching of H2O by He: mixed quantum/classical theory and comparison with quantum results

The Journal of chemical physics, 2014-04, Vol.140 (13), p.134301-134301

2014

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New potential energy surface for the HCS(+)-He system and inelastic rate coefficients

The Journal of chemical physics, 2015-07, Vol.143 (4), p.044315-044315

2015

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Rotational relaxation of CS by collision with ortho- and para-H2 molecules

The Journal of chemical physics, 2013-11, Vol.139 (20), p.204304-204304

2013

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New model for datasets citation and extraction reproducibility in VAMDC

Journal of molecular spectroscopy, 2016-09, Vol.327, p.122-137

2016

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Implementing in the VAMDC the New Paradigms for Data Citation from the Research Data Alliance

Data science journal, 2019-01, Vol.18 (1)

2019

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The VAMDC Portal as a Major Enabler of Atomic and Molecular Data Citation

Galaxies, 2018-12, Vol.6 (4), p.105

2018

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Ro-vibrational relaxation of HCN in collisions with He: rigid bender treatment of the bending-rotation interaction

The Journal of chemical physics, 2013-09, Vol.139 (12), p.124317-124317

2013

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The interaction of He with vibrating HCN: potential energy surface, bound states, and rotationally inelastic cross sections

The Journal of chemical physics, 2013-07, Vol.139 (3), p.034304-034304

2013

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MeCaSDa and ECaSDa: Methane and ethene calculated spectroscopic databases for the virtual atomic and molecular data centre

Journal of quantitative spectroscopy & radiative transfer, 2013-11, Vol.130, p.62-68

2013

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Potential energy surface and rovibrational energy levels of the H 2 -CS van der Waals complex

The Journal of chemical physics, 2012-12, Vol.137 (23)

2012

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The dynamics of open-shell Van der Waals complexes

The Journal of chemical physics, , Vol.94 (12), p.7602-7618

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Potential energy surfaces for Ar-OH (X 2Π) obtained by fitting to high-resolution spectroscopy

The Journal of chemical physics, , Vol.99 (10), p.7477-7486

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Atom–molecule van der Waals complexes containing open-shell atoms. I. General theory and bending levels

The Journal of chemical physics, 1994-08, Vol.101 (3), p.1939-1958

1994

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Rovibrational states calculations of the HO-HCN heterodimer with the multiconfiguration time dependent Hartree method

Physical chemistry chemical physics : PCCP, 2023-11, Vol.25 (46), p.31813-31824

2023

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Rovibrational states calculations of the H 2 O–HCN heterodimer with the multiconfiguration time dependent Hartree method

Physical chemistry chemical physics : PCCP, 2023-11, Vol.25 (46), p.31813-31824

2023

Link zum Volltext

Verfügbarkeit prüfen

Rotational relaxation of CS by collision with ortho- and para-H 2 molecules

The Journal of chemical physics, 2013-11, Vol.139 (20)

2013

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Mixed quantum/classical theory for inelastic scattering of asymmetric-top-rotor + atom in the body-fixed reference frame and application to the H 2 O + He system

The Journal of chemical physics, 2014-09, Vol.141 (11)

2014

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Rotational quenching of H 2 O by He: Mixed quantum/classical theory and comparison with quantum results

The Journal of chemical physics, 2014-04, Vol.140 (13)

2014

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Rotational excitation of 45 levels of ortho/para-H2O by excited ortho/para-H2 from 5K to 1500K: state-to-state, effective and thermalized rate coefficients

Astronomy and astrophysics (Berlin), 2011 (536)

2011

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Rotational quenching of H{sub 2}O by He: Mixed quantum/classical theory and comparison with quantum results

The Journal of chemical physics, 2014-04, Vol.140 (13)

2014

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Parity doubling in open-shell van der Waals complexes

Chemical physics letters, 1992-06, Vol.193 (5), p.355-363

1992

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Influence of a new potential energy surface on the rotational (de)excitation of H2O by H2 at low temperature

Astronomy and astrophysics (Berlin), 2006-12, Vol.460(1), p.323-329

2006

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Rovibrational states calculations of the H2O–HCN heterodimer with the multiconfiguration time dependent Hartree method

Mixed quantum/classical theory for inelastic scattering of asymmetric-top-rotor + atom in the body-fixed reference frame and application to the H₂O + He system

Theoretical study of HCN-water interaction: five dimensional potential energy surfaces

Rotational quenching of H2O by He: mixed quantum/classical theory and comparison with quantum results

New potential energy surface for the HCS(+)-He system and inelastic rate coefficients

Rotational relaxation of CS by collision with ortho- and para-H2 molecules

New model for datasets citation and extraction reproducibility in VAMDC

Implementing in the VAMDC the New Paradigms for Data Citation from the Research Data Alliance

The VAMDC Portal as a Major Enabler of Atomic and Molecular Data Citation

Ro-vibrational relaxation of HCN in collisions with He: rigid bender treatment of the bending-rotation interaction

The interaction of He with vibrating HCN: potential energy surface, bound states, and rotationally inelastic cross sections

MeCaSDa and ECaSDa: Methane and ethene calculated spectroscopic databases for the virtual atomic and molecular data centre

Potential energy surface and rovibrational energy levels of the H 2 -CS van der Waals complex

The dynamics of open-shell Van der Waals complexes

Potential energy surfaces for Ar-OH (X 2Π) obtained by fitting to high-resolution spectroscopy

Atom–molecule van der Waals complexes containing open-shell atoms. I. General theory and bending levels

Rovibrational states calculations of the HO-HCN heterodimer with the multiconfiguration time dependent Hartree method

Rovibrational states calculations of the H 2 O–HCN heterodimer with the multiconfiguration time dependent Hartree method

Rotational relaxation of CS by collision with ortho- and para-H 2 molecules

Mixed quantum/classical theory for inelastic scattering of asymmetric-top-rotor + atom in the body-fixed reference frame and application to the H 2 O + He system

Rotational quenching of H 2 O by He: Mixed quantum/classical theory and comparison with quantum results

Rotational excitation of 45 levels of ortho/para-H2O by excited ortho/para-H2 from 5K to 1500K: state-to-state, effective and thermalized rate coefficients

Rotational quenching of H{sub 2}O by He: Mixed quantum/classical theory and comparison with quantum results

Parity doubling in open-shell van der Waals complexes

Influence of a new potential energy surface on the rotational (de)excitation of H2O by H2 at low temperature

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