Ionization fraction and the enhanced sulfur chemistry in Barnard 1
A Fuente, J Cernicharo, E Roueff, M Gerin… - Astronomy & …, 2016 - aanda.org
Context. Barnard B1b has been revealed as one of the most interesting globules from the
chemical and dynamical point of view. It presents a rich molecular chemistry characterized …
chemical and dynamical point of view. It presents a rich molecular chemistry characterized …
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 …
Quantum and quasi-classical dynamics of the C (3 P)+ O 2 (3 Σ− g)→ CO (1 Σ+)+ O (1 D) reaction on its electronic ground state
The dynamics of the C (3P)+ O2 (3Σ− g)→ CO (1Σ+)+ O (1D) reaction on its electronic
ground state is investigated by using time-dependent wave packet propagation (TDWP) and …
ground state is investigated by using time-dependent wave packet propagation (TDWP) and …
An investigation of one-versus two-dimensional semiclassical transition state theory for H atom abstraction and exchange reactions
We investigate which terms in Reduced-Dimensionality Semiclassical Transition State
Theory (RD SCTST) contribute most significantly in rate constant calculations of hydrogen …
Theory (RD SCTST) contribute most significantly in rate constant calculations of hydrogen …
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 …
Theoretical study of S + SH reaction on its ground state HS2(X2A″) potential energy surface
In this study, we explore the initial state selected dynamics of the S+ SH (X 2 Π)→ S 2 (X
3∑)+ H reaction through the lens of time-dependent quantum dynamics (QD), quasi …
3∑)+ H reaction through the lens of time-dependent quantum dynamics (QD), quasi …
Effect of Reagent Vibration and Rotation on the State-to-State Dynamics of the Hydrogen Exchange Reaction, H + H2 → H2 + H
State-to-state dynamics of the benchmark hydrogen exchange reaction H+ H2 (v= 0–4, j= 0–
3)→ H2 (v′, j′)+ H is investigated with the aid of the real wave packet approach of Gray …
3)→ H2 (v′, j′)+ H is investigated with the aid of the real wave packet approach of Gray …
Quantum, Statistical, and Quasiclassical Trajectory Studies For the Ne + HeH+ → NeH+ + He Reaction on the Ground Electronic State
Real wave packet, statistical quantum, and quasiclassical trajectory methods were
employed to study the dynamics of Ne+ HeH+ (v 0, j 0)→ He+ NeH+ reaction on an ab initio …
employed to study the dynamics of Ne+ HeH+ (v 0, j 0)→ He+ NeH+ reaction on an ab initio …
Time-dependent quantum wave packet study of the Si+ OH→ SiO+ H reaction: Cross sections and rate constants
A Rivero Santamaria, F Dayou… - The Journal of …, 2017 - ACS Publications
The dynamics of the Si (3P)+ OH (X2Π)→ SiO (X1Σ+)+ H (2S) reaction is investigated by
means of the time-dependent wave packet (TDWP) approach using an ab initio potential …
means of the time-dependent wave packet (TDWP) approach using an ab initio potential …
A theoretical study on the C+ OH reaction dynamics and product energy disposal with vibrationally excited reagent
State-to-state dynamics of the C (3 P)+ OH (X 2 Π, v= 0–2, j= 0)→ CO (a 3 Π)+ H (2 S),
reaction on the first (1 2 A ″) and second (1 4 A ″) excited states is studied by the real …
reaction on the first (1 2 A ″) and second (1 4 A ″) excited states is studied by the real …