FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2087660035> ?p ?o ?g. }

• W2087660035 endingPage "1370" @default.
• W2087660035 startingPage "1360" @default.
• W2087660035 abstract "In this paper we present a general theoretical–computational model for treating electron transfer reactions in complex atomic–molecular systems. The underlying idea of the approach, based on unbiased first-principles calculations at the atomistic level, utilizes the definition and the construction of the Diabatic Perturbed states of the involved reactive partners (i.e. the quantum centres in our perturbation approach) as provided by the interaction with their environment, including their mutual interaction. In this way we reconstruct the true Adiabatic states of the reactive partners characterizing the electron transfer process as the fluctuation of the electronic density due to the fluctuating perturbation. Results obtained by using a combination of Molecular Dynamics simulation and the Perturbed Matrix Method on a prototypical intramolecular electron transfer (from 2-(9,9′-dimethyl)fluorene to the 2-naphthalene group separated by a steroidal 5-α-androstane skeleton) well illustrate the accuracy of the method in reproducing both the thermodynamics and the kinetics of the process." @default.
• W2087660035 created "2016-06-24" @default.
• W2087660035 creator A5051763103 @default.
• W2087660035 creator A5060901464 @default.
• W2087660035 creator A5070335899 @default.
• W2087660035 date "2012-01-01" @default.
• W2087660035 modified "2023-09-26" @default.
• W2087660035 title "A general theoretical model for electron transfer reactions in complex systems" @default.
• W2087660035 cites W1973653897 @default.
• W2087660035 cites W1975905515 @default.
• W2087660035 cites W1976043330 @default.
• W2087660035 cites W1979079045 @default.
• W2087660035 cites W1981021420 @default.
• W2087660035 cites W1986025575 @default.
• W2087660035 cites W1986230696 @default.
• W2087660035 cites W1991010290 @default.
• W2087660035 cites W1995842593 @default.
• W2087660035 cites W1996947208 @default.
• W2087660035 cites W1999411253 @default.
• W2087660035 cites W2001270915 @default.
• W2087660035 cites W2006251625 @default.
• W2087660035 cites W2007553441 @default.
• W2087660035 cites W2023271753 @default.
• W2087660035 cites W2024334750 @default.
• W2087660035 cites W2025949758 @default.
• W2087660035 cites W2031904472 @default.
• W2087660035 cites W2032143737 @default.
• W2087660035 cites W2035751951 @default.
• W2087660035 cites W2038870920 @default.
• W2087660035 cites W2046133238 @default.
• W2087660035 cites W2049165782 @default.
• W2087660035 cites W2049233747 @default.
• W2087660035 cites W2051310452 @default.
• W2087660035 cites W2056607400 @default.
• W2087660035 cites W2067174909 @default.
• W2087660035 cites W2068228867 @default.
• W2087660035 cites W2069006374 @default.
• W2087660035 cites W2071306149 @default.
• W2087660035 cites W2071949854 @default.
• W2087660035 cites W2074598974 @default.
• W2087660035 cites W2074768610 @default.
• W2087660035 cites W2076594935 @default.
• W2087660035 cites W2078939353 @default.
• W2087660035 cites W2079446093 @default.
• W2087660035 cites W2086957099 @default.
• W2087660035 cites W2091975638 @default.
• W2087660035 cites W2109885422 @default.
• W2087660035 cites W2109924202 @default.
• W2087660035 cites W2123050404 @default.
• W2087660035 cites W2127341056 @default.
• W2087660035 cites W2130720927 @default.
• W2087660035 cites W2142515002 @default.
• W2087660035 cites W2145826822 @default.
• W2087660035 cites W2169572031 @default.
• W2087660035 cites W642437637 @default.
• W2087660035 doi "https://doi.org/10.1039/c1cp22309g" @default.
• W2087660035 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/22158942" @default.
• W2087660035 hasPublicationYear "2012" @default.
• W2087660035 type Work @default.
• W2087660035 sameAs 2087660035 @default.
• W2087660035 citedByCount "32" @default.
• W2087660035 countsByYear W20876600352013 @default.
• W2087660035 countsByYear W20876600352014 @default.
• W2087660035 countsByYear W20876600352015 @default.
• W2087660035 countsByYear W20876600352016 @default.
• W2087660035 countsByYear W20876600352017 @default.
• W2087660035 countsByYear W20876600352018 @default.
• W2087660035 countsByYear W20876600352019 @default.
• W2087660035 countsByYear W20876600352020 @default.
• W2087660035 countsByYear W20876600352021 @default.
• W2087660035 countsByYear W20876600352022 @default.
• W2087660035 countsByYear W20876600352023 @default.
• W2087660035 crossrefType "journal-article" @default.
• W2087660035 hasAuthorship W2087660035A5051763103 @default.
• W2087660035 hasAuthorship W2087660035A5060901464 @default.
• W2087660035 hasAuthorship W2087660035A5070335899 @default.
• W2087660035 hasConcept C109663097 @default.
• W2087660035 hasConcept C115852967 @default.
• W2087660035 hasConcept C121332964 @default.
• W2087660035 hasConcept C121864883 @default.
• W2087660035 hasConcept C123669783 @default.
• W2087660035 hasConcept C147120987 @default.
• W2087660035 hasConcept C147597530 @default.
• W2087660035 hasConcept C147789679 @default.
• W2087660035 hasConcept C159467904 @default.
• W2087660035 hasConcept C174256460 @default.
• W2087660035 hasConcept C177918212 @default.
• W2087660035 hasConcept C185592680 @default.
• W2087660035 hasConcept C59593255 @default.
• W2087660035 hasConcept C62520636 @default.
• W2087660035 hasConcept C71240020 @default.
• W2087660035 hasConcept C75079739 @default.
• W2087660035 hasConcept C97355855 @default.
• W2087660035 hasConceptScore W2087660035C109663097 @default.
• W2087660035 hasConceptScore W2087660035C115852967 @default.
• W2087660035 hasConceptScore W2087660035C121332964 @default.
• W2087660035 hasConceptScore W2087660035C121864883 @default.
• W2087660035 hasConceptScore W2087660035C123669783 @default.

• next