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Journal of Physical Chemistry A, ISSN 1089-5639, 06/2019, Volume 123, p. 27
We present a new method taking explicitly into account the coupling between rotation and bending of a nonlinear triatomic molecule colliding with an atom. This... 
Computational Physics | Quantum Physics | Chemical Physics | Atomic and Molecular Clusters | Physics
Journal Article
The journal of physical chemistry. A, 07/2019, Volume 123, Issue 27, p. 5704
We present a new method taking explicitly into account the coupling between rotation and bending of a nonlinear triatomic molecule colliding with an atom. This... 
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 11/2012, Volume 14, Issue 47, pp. 16458 - 16466
We present a new four dimensional (4D) potential energy surface for the O sub(2)-H sub(2) system. Both molecules were treated as rigid rotors. Potential was... 
Low energy | Potential energy | Correlation | Electronic structure | Anisotropy | Mathematical analysis | Center of mass | Excitation
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 12/2012, Volume 14, Issue 47, pp. 16458 - 16466
We present a new four dimensional (4D) potential energy surface for the O-2-H-2 system. Both molecules were treated as rigid rotors. Potential was obtained... 
QUANTUM SCATTERING | SYSTEM | RATE COEFFICIENTS | WAVE-FUNCTIONS | COMPLEX | TEMPERATURE-DEPENDENCE | INTERMOLECULAR INTERACTION ENERGIES | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | BASIS-SETS | ROTATIONALLY INELASTIC-COLLISIONS | MOLECULAR-OXYGEN
Journal Article
MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY, ISSN 0035-8711, 06/2019, Volume 486, Issue 1, pp. 1255 - 1259
The recent detections of CF+ and its proposition as a tracer of fluorine and C+ in the interstellar medium (ISM) have increased the interest in this system.... 
RATE COEFFICIENTS | CROSS-SECTIONS | EXCITATION | MOLECULES | molecular data | scattering | ISM: molecules | PREDISSOCIATION | ASTRONOMY & ASTROPHYSICS | molecular processes | CHEMISTRY | DYNAMICS | astrochemistry
Journal Article
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, ISSN 1463-9076, 01/2017, Volume 19, Issue 3, pp. 2392 - 2401
The NO(X-2 Pi) + N(S-4) reaction which occurs entirely in the triplet manifold of N2O is investigated using quasiclassical trajectories and quantum... 
VACUUM-ULTRAVIOLET | RATE COEFFICIENTS | ATMOSPHERIC REACTION | KINETICS | POTENTIAL-ENERGY SURFACES | AB-INITIO | RATE CONSTANTS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | METASTABLE NITROGEN-ATOMS | DYNAMICS | CHEMISTRY, PHYSICAL | PLUS NO(X PI)
Journal Article
MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY, ISSN 0035-8711, 03/2018, Volume 475, Issue 1, pp. 783 - 787
The rate coefficients for the rotational de-excitation of AlO+ by collisions with He are determined. The possible production mechanisms of the AlO+ ion in both... 
RATE COEFFICIENTS | EXCITATION | molecular data | scattering | ALO | ISM: molecules | ASTRONOMY & ASTROPHYSICS | POTENTIAL-ENERGY SURFACES | molecular processes | CHEMISTRY | astrochemistry | VY CANIS MAJORIS
Journal Article
JOURNAL OF CHEMICAL PHYSICS, ISSN 0021-9606, 03/2017, Volume 146, Issue 11
Vibrational energy relaxation (VER) of diatomics following collisions with the surrounding medium is an important elementary process for modeling... 
ENERGY FLOW | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | RULE | CHEMICAL-KINETIC PROBLEMS | MODEL | ENTRIES | FUTURE NASA MISSIONS | MOLECULES
Journal Article
Monthly Notices of the Royal Astronomical Society, ISSN 0035-8711, 03/2018, Volume 475, Issue 1, pp. 783 - 787
AbstractThe rate coefficients for the rotational de-excitation of AlO+ by collisions with He are determined. The possible production mechanisms of the AlO+ ion... 
Astrochemistry | Molecular processes | ISM: molecules | Scattering | Molecular data | Potential energy | Coupling (molecular) | Molecular clouds | Three dimensional analysis | Mathematical models | Rotational states | Hilbert space | Excitation | Nuclear spin | Coefficients | Three dimensional models | or physical chemistry | Chemical Sciences | Theoretical and
Journal Article
JOURNAL OF PHYSICAL CHEMISTRY A, ISSN 1089-5639, 07/2019, Volume 123, Issue 27, pp. 5704 - 5712
We present a new method taking explicitly into account the coupling between rotation and bending of a nonlinear triatomic molecule colliding with an atom. This... 
ROTATIONAL-EXCITATION | RATES | STATES | HCN | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | ENERGY-TRANSFER | SPECTRA | H-2 | MOLECULES
Journal Article
Monthly Notices of the Royal Astronomical Society, ISSN 0035-8711, 01/2018, Volume 473, Issue 2, pp. 1438 - 1443
The carbon monofluoride cation (CF+) has been detected recently in Galactic and extragalactic regions. Therefore, excitation rate coefficients of this molecule... 
Astrochemistry | Molecular processes | ISM: molecules | Scattering | Molecular data | RATE COEFFICIENTS | molecular data | scattering | ASTRONOMY & ASTROPHYSICS | molecular processes | CHEMISTRY | astrochemistry | Potential energy | Coupling (molecular) | Celestial bodies | Interstellar chemistry | Cross-sections | Rotational states | Hilbert space | Coupling | Coefficients | Cross sections
Journal Article
MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY, ISSN 0035-8711, 11/2018, Volume 480, Issue 4, pp. 4969 - 4973
The SN+ ion has been detected for the first time in the interstellar medium (ISM) very recently. The analysis of the physical-chemical conditions of the... 
EXCITATION | molecular data | scattering | ISM: molecules | NS | ASTRONOMY & ASTROPHYSICS | molecular processes | astrochemistry
Journal Article
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, ISSN 1463-9076, 11/2017, Volume 19, Issue 41, pp. 27945 - 27951
The collision of N-2(+) with Ar is studied using quantum and classical methods. The dynamics was followed on a new potential energy surface based on ab initio... 
CHEMISTRY, PHYSICAL | N2 | ENERGIES | ION-MOLECULE REACTIONS | PROGRAM | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL
Journal Article
Monthly Notices of the Royal Astronomical Society, ISSN 0035-8711, 08/2018
Journal Article
The journal of physical chemistry. A, ISSN 1089-5639, 12/2019, Volume 123, Issue 51, pp. 10990 - 10995
The HOC molecule has for long been detected in several regions of the interstellar medium (ISM). The collisional ro-vibrational rate coefficients of this... 
RATE COEFFICIENTS | ENERGY | HCN | EXCITATION | HCO | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY | CHEMISTRY, PHYSICAL | RATIO | IONS | INTERSTELLAR-MEDIUM | ABUNDANCES
Journal Article
Monthly Notices of the Royal Astronomical Society, ISSN 0035-8711, 08/2018, Volume 478, Issue 2, pp. 1811 - 1817
Astronomers use the CS molecule as a gas mass tracer in dense regions of the interstellar medium, to measure either the gas density through multiline... 
Astrochemistry | Molecular processes | ISM: molecules | Scattering | Molecular data | EXCITATION | molecular data | scattering | CLOUDS | ASTRONOMY & ASTROPHYSICS | molecular processes | astrochemistry
Journal Article
Monthly Notices of the Royal Astronomical Society, ISSN 0035-8711, 09/2018, Volume 479, Issue 1, pp. 753 - 757
The detection of the carbon monolluoride cation CF+ was considered as a support of the theories of the fluorine chemistry in the interstellar medium. This... 
Molecular processes | Astrochemistry | Molecular data | ROTATIONAL-EXCITATION | ENERGY | molecular data | ASTRONOMY & ASTROPHYSICS | molecular processes | CHEMISTRY | ATOMS | astrochemistry | MOLECULES
Journal Article
ASTRONOMY & ASTROPHYSICS, ISSN 0004-6361, 10/2019, Volume 631, p. A86
Context. The study of noble gas compounds has gained renewed interest thanks to the recent detection of ArH+ in the interstellar medium (ISM). The analysis of... 
(ARH+)-AR-36 | RATES | EXCITATION | molecular data | scattering | ISM: molecules | CH | INTERACTION ENERGY | ASTRONOMY & ASTROPHYSICS | molecular processes | ION | astrochemistry
Journal Article
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