4.7 Article

Quantum study of the bending relaxation of H2O by collision with H

相关参考文献

注意:仅列出部分参考文献,下载原文获取全部文献信息。
Article Chemistry, Physical

A close coupling study of the bending relaxation of H2O by collision with He

Thierry Stoecklin et al.

Summary: In this study, a close coupling approach was used to investigate the bending relaxation of H2O induced by collision with He, taking into account the bending-rotation coupling within the rigid-bender method and using a 4D potential energy surface. The results indicate that the bending-rotation coupling is highly efficient in increasing bending relaxation as the rotational excitation of H2O increases.

JOURNAL OF CHEMICAL PHYSICS (2021)

Article Chemistry, Physical

High accuracy ab initio potential energy surface for the H2O-H van der Waals dimer

Gavin A. McCarver et al.

Summary: The article introduces a simulation method of the three-dimensional potential energy surface of the H2O-H van der Waals dimer, obtaining a series of potential energy values for specific geometric configurations through ab initio calculations. By using specific calculation methods and basis sets to minimize errors, a potential energy surface suitable for molecular dynamics simulations is established.

JOURNAL OF CHEMICAL PHYSICS (2021)

Article Physics, Atomic, Molecular & Chemical

Cross Sections and Rate Coefficients for Vibrational Excitation of H2O by Electron Impact

Mehdi Ayouz et al.

Summary: Cross-sections and thermally averaged rate coefficients for vibration (de-)excitation of a water molecule by electron impact are calculated, considering one and two quanta excitations for all three normal modes. The results, obtained through a theoretical approach combining various methods, aim to assist in modeling non-LTE spectra of water in different astrophysical environments. The calculations include a comprehensive evaluation of uncertainty to ensure reliability of the data.
Article Chemistry, Physical

Rigid-Bender Close-Coupling Treatment of the Inelastic Collisions of H2O with para-H2

Thierry Stoecklin et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2019)

Article Astronomy & Astrophysics

Vibrationally excited water emission at 658 GHz from evolved stars

A. Baudry et al.

ASTRONOMY & ASTROPHYSICS (2018)

Article Astronomy & Astrophysics

The physics of water masers observable with ALMA and SOFIA: model predictions for evolved stars

M. D. Gray et al.

MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY (2016)

Article Multidisciplinary Sciences

Explanation of efficient quenching of molecular ion vibrational motion by ultracold atoms

Thierry Stoecklin et al.

NATURE COMMUNICATIONS (2016)

Article Astronomy & Astrophysics

ALMA OBSERVATION OF THE 658 GHz VIBRATIONALLY EXCITED H2O MASER IN ORION KL SOURCE I

Tomoya Hirota et al.

ASTROPHYSICAL JOURNAL (2016)

Article Astronomy & Astrophysics

Isotopic effects in the collision of HCN with He: substitution of HCN by DCN

Otoniel Denis-Alpizar et al.

MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY (2015)

Article Astronomy & Astrophysics

Model of the vibrationally excited H2O maser at 658 GHz in circumstellar envelopes around asymptotic giant branch stars

A. V. Nesterenok

MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY (2015)

Article Astronomy & Astrophysics

Rovibrational energy transfer in the He-C3 collision: rigid bender treatment of the bending-rotation interaction and rate coefficients

Thierry Stoecklin et al.

MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY (2015)

Article Astronomy & Astrophysics

Collisional excitation of water by hydrogen atoms

F. Daniel et al.

MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY (2015)

Article Chemistry, Physical

Rovibrational energy transfer in the He-C3 collision: Potential energy surface and bound states

Otoniel Denis-Alpizar et al.

JOURNAL OF CHEMICAL PHYSICS (2014)

Review Chemistry, Multidisciplinary

Interstellar Water Chemistry: From Laboratory to Observations

Ewine F. van Dishoeck et al.

CHEMICAL REVIEWS (2013)

Article Chemistry, Physical

Exact quantum scattering calculations of transport properties for the H2O-H system

Paul J. Dagdigian et al.

JOURNAL OF CHEMICAL PHYSICS (2013)

Article Chemistry, Physical

Mode specificity in the H + H2O → H2 + OH reaction: A full-dimensional quantum dynamics study

Bina Fu et al.

JOURNAL OF CHEMICAL PHYSICS (2013)

Article Chemistry, Physical

The dispersion interaction between quantum mechanics and effective fragment potential molecules

Quentin A. Smith et al.

JOURNAL OF CHEMICAL PHYSICS (2012)

Review Chemistry, Multidisciplinary

Molpro: a general-purpose quantum chemistry program package

Hans-Joachim Werner et al.

WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2012)

Article Chemistry, Physical

R12-calibrated H2O-H2 interaction: Full dimensional and vibrationally averaged potential energy surfaces

Pierre Valiron et al.

JOURNAL OF CHEMICAL PHYSICS (2008)