FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W3103587185> ?p ?o ?g. }

• W3103587185 abstract "We consider a proton transfer (PT) system described by a proton transfer reaction (PTR) coordinate and a rate promoting vibrational (RPV) coordinate interacting with a non-Markovian heat bath. While dynamics of PT processes has been widely discussed using two-dimensional potential energy surfaces, the role of the heat bath, in particular, in a realistic form of the system–bath interaction has not been well explored. Previous studies are largely based on a one-dimensional model and linear-linear system–bath interaction. In the present study, we introduce an exponential-linear (EL) system–bath interaction, which is derived from the analysis of a PTR–RPV system in a realistic situation. This interaction mainly causes vibrational dephasing in the PTR mode and population relaxation in the RPV mode. Numerical simulations were carried out using the hierarchical equations of motion approach. We analyze the role of the heat bath interaction in the chemical reaction rate as a function of the system–bath coupling strength at different temperatures and for different values of the bath correlation time. A prominent feature of the present result is that while the reaction rate predicted from classical and quantum Kramers theory increases as the temperature increases, the present EL interaction model exhibits opposite temperature dependence. The Kramers turn-over profile of the reaction rate as a function of the system–bath coupling is also suppressed in the present EL model, turning into a plateau-like curve for larger system–bath interaction strength. Such features arise from the interplay of the vibrational dephasing process in the PTR mode and the population relaxation process in the RPV mode." @default.
• W3103587185 created "2020-11-23" @default.
• W3103587185 creator A5036458048 @default.
• W3103587185 creator A5048432843 @default.
• W3103587185 creator A5074182459 @default.
• W3103587185 date "2020-06-04" @default.
• W3103587185 modified "2023-09-27" @default.
• W3103587185 title "Proton tunneling in a two-dimensional potential energy surface with a non-linear system–bath interaction: Thermal suppression of reaction rate" @default.
• W3103587185 cites W1532928705 @default.
• W3103587185 cites W1965187793 @default.
• W3103587185 cites W1967038243 @default.
• W3103587185 cites W1971052325 @default.
• W3103587185 cites W1975391438 @default.
• W3103587185 cites W1976387111 @default.
• W3103587185 cites W1978728163 @default.
• W3103587185 cites W1980525944 @default.
• W3103587185 cites W1981554467 @default.
• W3103587185 cites W1982839983 @default.
• W3103587185 cites W1985748667 @default.
• W3103587185 cites W1988311247 @default.
• W3103587185 cites W1996664218 @default.
• W3103587185 cites W1998081146 @default.
• W3103587185 cites W1998104554 @default.
• W3103587185 cites W1998718493 @default.
• W3103587185 cites W2003896818 @default.
• W3103587185 cites W2011301452 @default.
• W3103587185 cites W2013738595 @default.
• W3103587185 cites W2013891138 @default.
• W3103587185 cites W2015659061 @default.
• W3103587185 cites W2018763953 @default.
• W3103587185 cites W2021979852 @default.
• W3103587185 cites W2024966744 @default.
• W3103587185 cites W2025514257 @default.
• W3103587185 cites W2027792714 @default.
• W3103587185 cites W2030155368 @default.
• W3103587185 cites W2030371331 @default.
• W3103587185 cites W2032481420 @default.
• W3103587185 cites W2033569538 @default.
• W3103587185 cites W2035328263 @default.
• W3103587185 cites W2035838814 @default.
• W3103587185 cites W2037996095 @default.
• W3103587185 cites W2040883303 @default.
• W3103587185 cites W2041097029 @default.
• W3103587185 cites W2044562997 @default.
• W3103587185 cites W2046679394 @default.
• W3103587185 cites W2050773256 @default.
• W3103587185 cites W2052882550 @default.
• W3103587185 cites W2053806205 @default.
• W3103587185 cites W2063013988 @default.
• W3103587185 cites W2065709195 @default.
• W3103587185 cites W2070223984 @default.
• W3103587185 cites W2071266719 @default.
• W3103587185 cites W2072350015 @default.
• W3103587185 cites W2075929048 @default.
• W3103587185 cites W2085022730 @default.
• W3103587185 cites W2088115298 @default.
• W3103587185 cites W2090062662 @default.
• W3103587185 cites W2091149872 @default.
• W3103587185 cites W2092144432 @default.
• W3103587185 cites W2114722820 @default.
• W3103587185 cites W2135255261 @default.
• W3103587185 cites W2138826414 @default.
• W3103587185 cites W2152358552 @default.
• W3103587185 cites W2163449720 @default.
• W3103587185 cites W2171471260 @default.
• W3103587185 cites W2173984173 @default.
• W3103587185 cites W2177649748 @default.
• W3103587185 cites W2273652714 @default.
• W3103587185 cites W2312760096 @default.
• W3103587185 cites W2317180959 @default.
• W3103587185 cites W2326024856 @default.
• W3103587185 cites W2416666224 @default.
• W3103587185 cites W2466069471 @default.
• W3103587185 cites W2482824694 @default.
• W3103587185 cites W2548453456 @default.
• W3103587185 cites W2750525538 @default.
• W3103587185 cites W2765323162 @default.
• W3103587185 cites W2795485695 @default.
• W3103587185 cites W2796012780 @default.
• W3103587185 cites W2911256361 @default.
• W3103587185 cites W2921175735 @default.
• W3103587185 cites W2950015324 @default.
• W3103587185 cites W2951580470 @default.
• W3103587185 cites W3007015932 @default.
• W3103587185 cites W3098665212 @default.
• W3103587185 cites W3100641251 @default.
• W3103587185 cites W3101809124 @default.
• W3103587185 cites W3104311936 @default.
• W3103587185 cites W3105481561 @default.
• W3103587185 cites W3106066545 @default.
• W3103587185 cites W4234610402 @default.
• W3103587185 cites W4243596204 @default.
• W3103587185 cites W4376999515 @default.
• W3103587185 doi "https://doi.org/10.1063/5.0010580" @default.
• W3103587185 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/32505152" @default.
• W3103587185 hasPublicationYear "2020" @default.
• W3103587185 type Work @default.
• W3103587185 sameAs 3103587185 @default.
• W3103587185 citedByCount "18" @default.
• W3103587185 countsByYear W31035871852020 @default.

• next