Ar+ ArH+ Reactive Collisions of Astrophysical Interest: The Case of 36Ar
The reactive collision between 36Ar and the 36ArH+ species has been investigated by
means of quantum mechanical (QM), quasiclassical trajectories (QCT) and statistical …
means of quantum mechanical (QM), quasiclassical trajectories (QCT) and statistical …
Time-dependent quantum mechanical wave packet dynamics
N Sathyamurthy, S Mahapatra - Physical Chemistry Chemical Physics, 2021 - pubs.rsc.org
Starting from a model study of the collinear (H, H2) exchange reaction in 1959, the time-
dependent quantum mechanical wave packet (TDQMWP) method has come a long way in …
dependent quantum mechanical wave packet (TDQMWP) method has come a long way in …
Rovibrational Characterization and Interstellar Implications of the Proton-Bound, Noble Gas Complexes: ArHAr+, NeHNe+, and ArHNe+
RC Fortenberry - ACS Earth and Space Chemistry, 2017 - ACS Publications
The detection of the noble gas molecule ArH+ initially in the Crab nebula and elsewhere
since has reinvigorated the search for naturally occurring, noble gas compounds …
since has reinvigorated the search for naturally occurring, noble gas compounds …
The interstellar formation and spectra of the noble gas, proton-bound HeHHe+, HeHNe+ and HeHAr+ complexes
CJ Stephan, RC Fortenberry - Monthly Notices of the Royal …, 2017 - academic.oup.com
The sheer interstellar abundance of helium makes any bound molecules or complexes
containing it of potential interest for astrophysical observation. This work utilizes high-level …
containing it of potential interest for astrophysical observation. This work utilizes high-level …
Thermal activation of methane by MgO+: temperature dependent kinetics, reactive molecular dynamics simulations and statistical modeling
The kinetics of MgO++ CH4 was studied experimentally using the variable ion source,
temperature adjustable selected ion flow tube (VISTA-SIFT) apparatus from 300–600 K and …
temperature adjustable selected ion flow tube (VISTA-SIFT) apparatus from 300–600 K and …
On the Proton-Bound Noble Gas Dimers (Ng-H-Ng)+ and (Ng-H-Ng')+ (Ng, Ng' = He-Xe): Relationships between Structure, Stability, and Bonding Character
The structure, stability, and bonding character of fifteen (Ng-H-Ng)+ and (Ng-H-Ng')+(Ng,
Ng'= He-Xe) compounds were explored by theoretical calculations performed at the coupled …
Ng'= He-Xe) compounds were explored by theoretical calculations performed at the coupled …
Scattering study of the Ne+ NeH+ (v= 0, j= 0)→ NeH++ Ne reaction on an ab initio based analytical potential energy surface
Initial state selected dynamics of the Ne+ NeH+(v 0= 0, j 0= 0)→ NeH++ Ne reaction is
investigated by quantum and statistical quantum mechanical (SQM) methods on the ground …
investigated by quantum and statistical quantum mechanical (SQM) methods on the ground …
State-to-State Dynamics of the Ne + HeH+ (v = 0, j = 0) → NeH+(v′, j′) + He Reaction
The dynamics of the Ne+ HeH+ (v= 0, j= 0)→ NeH+ (v′, j′)+ He reaction was analyzed in
detail at the state-to-state level. A time-independent quantum mechanical (TIQM) method …
detail at the state-to-state level. A time-independent quantum mechanical (TIQM) method …
Quantum and quasiclassical dynamical simulations for the Ar2H+ on a new global analytical potential energy surface
D Koner - The Journal of Chemical Physics, 2021 - pubs.aip.org
A new analytical potential energy surface (PES) has been constructed for the Ar 2 H+ system
from a dataset consisting of a large number of ab initio energies computed using the …
from a dataset consisting of a large number of ab initio energies computed using the …
State-resolved differential and integral cross sections for the Ne+ H2+ (v= 0–2, j= 0)→ NeH++ H reaction
H Wu, CX Yao, XH He, PY Zhang - The Journal of Chemical Physics, 2016 - pubs.aip.org
State-to-state quantum dynamic calculations for the proton transfer reaction Ne+ H 2+(v= 0–
2, j= 0) are performed on the most accurate LZHH potential energy surface, with the product …
2, j= 0) are performed on the most accurate LZHH potential energy surface, with the product …