A time-dependent quantum dynamical study of the C + ( 2 P) + H 2 (D 2 ,HD) → CH + (CD + ) + H(D) reaction
Sign Up to like & getrecommendations! Published in 2017 at "Chemical Physics Letters"
DOI: 10.1016/j.cplett.2017.09.056
Abstract: Abstract We present time-dependent quantum wave packet calculations for the C + ( 2 P) + H 2 (D 2 ,HD) → CH + (CD + ) + H(D) reactions on the ground 1 2 A ′ potential energy surface developed… read more here.
Keywords: dynamical study; time dependent; reaction; dependent quantum ... See more keywords
A time-dependent quantum dynamical study of H + AuH reaction
Sign Up to like & getrecommendations! Published in 2020 at "Chemical Physics Letters"
DOI: 10.1016/j.cplett.2020.137295
Abstract: Abstract We performed the first time-dependent wave packet calculations on H + HAu → Au + H2/ H + HAu reaction using the ground potential energy surface (2A') constructed by Zanchet' et al. For studying the mechanism of the title reaction, the reaction… read more here.
Keywords: dynamical study; time dependent; reaction; dependent quantum ... See more keywords
Quantum dynamical study of rotational excitations in SiS (X1Σ+) molecule by H collisions
Sign Up to like & getrecommendations! Published in 2019 at "Heliyon"
DOI: 10.1016/j.heliyon.2019.e01647
Abstract: The knowledge of accurate rate coefficients for collisional excitation of molecules by the abundant chemical species like He, H2 and H is important in modeling the conditions of interstellar medium. In the present paper, we… read more here.
Keywords: sis; dynamical study; rate coefficients; sis molecule ... See more keywords
Dynamical Study of Adsorbate-Induced Restructuring Kinetics in Bimetallic Catalysts Using the PdAu(111) Model System.
Sign Up to like & getrecommendations! Published in 2022 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.2c04871
Abstract: Dynamic restructuring of bimetallic catalysts plays a crucial role in their catalytic activity and selectivity. In particular, catalyst pretreatment with species such as carbon monoxide and oxygen has been shown to be an effective strategy… read more here.
Keywords: bimetallic catalysts; dynamical study; surface; model system ... See more keywords
Complex dynamical study of a delayed prey-predator model with fear in prey and square root harvesting of both species.
Sign Up to like & getrecommendations! Published in 2023 at "Chaos"
DOI: 10.1063/5.0135181
Abstract: In the current study, the dynamics of predator-prey systems under the influence of fear effect on the reproduction of prey population and harvesting on both species has been proposed. Assessing the dynamics of the system… read more here.
Keywords: dynamical study; complex dynamical; predator; harvesting species ... See more keywords