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Mixed Quantum/Classical Theory for Collisional Quenching of PAHs in the Interstellar Media

Journal Article · · ACS Earth and Space Chemistry

Not provided.

Research Organization:
Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC)
Sponsoring Organization:
USDOE
DOE Contract Number:
AC02-05CH11231
OSTI ID:
1982017
Journal Information:
ACS Earth and Space Chemistry, Vol. 6, Issue 3; ISSN 2472-3452
Publisher:
American Chemical Society (ACS)
Country of Publication:
United States
Language:
English

References (41)

The Physics and Chemistry of the Interstellar Medium book January 2012
Our astrochemical heritage journal October 2012
Water in Star-forming Regions with the Herschel Space Observatory (WISH). I. Overview of Key Program and First Results
  • van Dishoeck, E. F.; Kristensen, L. E.; Benz, A. O.
  • Publications of the Astronomical Society of the Pacific, Vol. 123, Issue 900 https://doi.org/10.1086/658676
journal February 2011
Molecular Excitation in the Interstellar Medium: Recent Advances in Collisional, Radiative, and Chemical Processes journal October 2013
TIMASSS: the IRAS 16293-2422 millimeter and submillimeter spectral survey journal July 2011
Ortho-to-para ratio of interstellar heavy water journal October 2010
The CHESS spectral survey of star forming regions: Peering into the protostellar shock L1157-B1 journal July 2010
A Chemical view of Protostellar-Disk Formation in L1527 journal August 2014
Water and acetaldehyde in HH212: The first hot corino in Orion journal January 2016
Analyzing observations of molecules in the ISM: Theoretical and experimental studies of energy transfer journal January 2012
Rotational excitation of 45 levels of ortho/para-H 2 O by excited ortho/para-H 2 from 5 K to 1500 K: state-to-state, effective, and thermalized rate coefficients journal December 2011
Rotational excitation of mono- and doubly-deuterated water by hydrogen molecules: Rotational excitation of deuterated water journal December 2011
Rotational relaxation of HCO+ and DCO+ by collision with H2 journal August 2020
Rotational quenching of an interstellar gas thermometer: CH 3 CN⋯He collisions journal January 2020
Potential energy surface and rotational cross sections for methyl formate colliding with helium journal July 2011
Interaction of Chiral Propylene Oxide (CH 3 CHCH 2 O) with Helium: Potential Energy Surface and Scattering Calculations journal April 2019
Seeds of Life in Space (SOLIS): II. Formamide in protostellar shocks: Evidence for gas-phase formation⋆ journal September 2017
Seeds Of Life In Space (SOLIS): The Organic Composition Diversity at 300–1000 au Scale in Solar-type Star-forming Regions journal November 2017
Methyltriacetylene (CH 3 C 6 H) toward TMC-1: The Largest Detected Symmetric Top journal April 2006
Warm Carbon-Chain Chemistry journal October 2013
Seeds of Life in Space (SOLIS): I. Carbon-chain growth in the Solar-type protocluster OMC2-FIR4⋆⋆⋆ journal September 2017
Interstellar Polycyclic Aromatic Hydrocarbon Molecules journal September 2008
The NASA Ames PAH IR Spectroscopic Database: The Laboratory Spectra journal December 2020
The NASA Ames PAH IR Spectroscopic Database: Computational Version 3.00 with Updated Content and the Introduction of Multiple Scaling Factors journal February 2018
Mixed Quantum/Classical Approach for Description of Molecular Collisions in Astrophysical Environments journal May 2015
Recent Advances in Development and Applications of the Mixed Quantum/Classical Theory for Inelastic Scattering journal December 2015
Adiabatic Trajectory Approximation within the Framework of Mixed Quantum/Classical Theory journal November 2020
Mixed quantum/classical theory of rotationally and vibrationally inelastic scattering in space-fixed and body-fixed reference frames journal November 2013
Mixed quantum/classical calculations of total and differential elastic and rotationally inelastic scattering cross sections for light and heavy reduced masses in a broad range of collision energies journal January 2014
Accurate Calculations of Rotationally Inelastic Scattering Cross Sections Using Mixed Quantum/Classical Theory journal December 2013
Inelastic Scattering of Identical Molecules within Framework of the Mixed Quantum/Classical Theory: Application to Rotational Excitations in H 2 + H 2 journal May 2016
Mixed Quantum/Classical Theory for Molecule–Molecule Inelastic Scattering: Derivations of Equations and Application to N 2 + H 2 System journal September 2015
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 journal September 2014
MQCT. I. Inelastic Scattering of Two Asymmetric-Top Rotors with Application to H 2 O + H 2 O journal June 2017
New H2O–H2O collisional rate coefficients for cometary applications journal September 2020
MQCT: User-ready program for calculations of inelastic scattering of two molecules journal July 2020
Calculations of Differential Cross Sections Using Mixed Quantum/Classical Theory of Inelastic Scattering journal July 2018
Computational and experimental investigation of intermolecular states and forces in the benzene–helium van der Waals complex journal December 2003
Molecular Beam Scattering Experiments on Benzene−Rare Gas Systems:  Probing the Potential Energy Surfaces for the C6H6−He, −Ne, and −Ar Dimers journal September 2002
BASECOL2012: A collisional database repository and web service within the Virtual Atomic and Molecular Data Centre (VAMDC) journal April 2013
An atomic and molecular database for analysis of submillimetre line observations journal February 2005