FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2617503521> ?p ?o ?g. }

• W2617503521 abstract "The accurate modeling of the environment response is a fundamental challenge for accurately describing the photophysics and photochemistry of molecules both in solution and in more complex embeddings. When large rearrangements of the electron density occur after an electronic transition, state-specific formulations, such as the vertical excitation model, are necessary to achieve a proper modeling of the processes. Such a state-specific model is fundamental not only to obtain accurate energies, but also to follow the geometrical relaxation accompanying the evolution of the excited-states. This study presents the analytical expression of the gradients of the vertical excitation model approach by a Lagrangian formulation in the time dependent density functional theory framework. Representative organic chromophores in solution are used to test the reliability of the implementation and provide comparisons with the linear response description." @default.
• W2617503521 created "2017-06-05" @default.
• W2617503521 creator A5020352602 @default.
• W2617503521 creator A5041412476 @default.
• W2617503521 creator A5069619578 @default.
• W2617503521 creator A5086397014 @default.
• W2617503521 date "2017-05-24" @default.
• W2617503521 modified "2023-09-30" @default.
• W2617503521 title "Excited state gradients for a state-specific continuum solvation approach: The vertical excitation model within a Lagrangian TDDFT formulation" @default.
• W2617503521 cites W1584657747 @default.
• W2617503521 cites W1966551066 @default.
• W2617503521 cites W1973368501 @default.
• W2617503521 cites W1974383200 @default.
• W2617503521 cites W1974922450 @default.
• W2617503521 cites W1975960411 @default.
• W2617503521 cites W1984245248 @default.
• W2617503521 cites W1986830885 @default.
• W2617503521 cites W1987593313 @default.
• W2617503521 cites W1989854295 @default.
• W2617503521 cites W1995794402 @default.
• W2617503521 cites W1997151511 @default.
• W2617503521 cites W2000472373 @default.
• W2617503521 cites W2001309031 @default.
• W2617503521 cites W2011448094 @default.
• W2617503521 cites W2022495401 @default.
• W2617503521 cites W2024568179 @default.
• W2617503521 cites W2026467865 @default.
• W2617503521 cites W2026498919 @default.
• W2617503521 cites W2029961407 @default.
• W2617503521 cites W2030974307 @default.
• W2617503521 cites W2039686868 @default.
• W2617503521 cites W2039711216 @default.
• W2617503521 cites W2041045262 @default.
• W2617503521 cites W2046424037 @default.
• W2617503521 cites W2047620092 @default.
• W2617503521 cites W2052571740 @default.
• W2617503521 cites W2053073303 @default.
• W2617503521 cites W2056967289 @default.
• W2617503521 cites W2058398316 @default.
• W2617503521 cites W2058574018 @default.
• W2617503521 cites W2074069600 @default.
• W2617503521 cites W2076102662 @default.
• W2617503521 cites W2076940601 @default.
• W2617503521 cites W2084710314 @default.
• W2617503521 cites W2085842264 @default.
• W2617503521 cites W2089502651 @default.
• W2617503521 cites W2134579258 @default.
• W2617503521 cites W2146798438 @default.
• W2617503521 cites W2158788902 @default.
• W2617503521 cites W2169669031 @default.
• W2617503521 cites W2314625524 @default.
• W2617503521 cites W2320463658 @default.
• W2617503521 cites W2321844763 @default.
• W2617503521 cites W2328599765 @default.
• W2617503521 cites W2342753706 @default.
• W2617503521 cites W2463707650 @default.
• W2617503521 cites W2537630886 @default.
• W2617503521 cites W4230608236 @default.
• W2617503521 cites W4232582072 @default.
• W2617503521 doi "https://doi.org/10.1063/1.4983696" @default.
• W2617503521 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/28571373" @default.
• W2617503521 hasPublicationYear "2017" @default.
• W2617503521 type Work @default.
• W2617503521 sameAs 2617503521 @default.
• W2617503521 citedByCount "25" @default.
• W2617503521 countsByYear W26175035212017 @default.
• W2617503521 countsByYear W26175035212018 @default.
• W2617503521 countsByYear W26175035212019 @default.
• W2617503521 countsByYear W26175035212020 @default.
• W2617503521 countsByYear W26175035212021 @default.
• W2617503521 countsByYear W26175035212022 @default.
• W2617503521 countsByYear W26175035212023 @default.
• W2617503521 crossrefType "journal-article" @default.
• W2617503521 hasAuthorship W2617503521A5020352602 @default.
• W2617503521 hasAuthorship W2617503521A5041412476 @default.
• W2617503521 hasAuthorship W2617503521A5069619578 @default.
• W2617503521 hasAuthorship W2617503521A5086397014 @default.
• W2617503521 hasConcept C121332964 @default.
• W2617503521 hasConcept C121864883 @default.
• W2617503521 hasConcept C147597530 @default.
• W2617503521 hasConcept C148093993 @default.
• W2617503521 hasConcept C152365726 @default.
• W2617503521 hasConcept C15744967 @default.
• W2617503521 hasConcept C181500209 @default.
• W2617503521 hasConcept C184779094 @default.
• W2617503521 hasConcept C185592680 @default.
• W2617503521 hasConcept C192468462 @default.
• W2617503521 hasConcept C20853536 @default.
• W2617503521 hasConcept C2776029896 @default.
• W2617503521 hasConcept C30475298 @default.
• W2617503521 hasConcept C32909587 @default.
• W2617503521 hasConcept C62520636 @default.
• W2617503521 hasConcept C77805123 @default.
• W2617503521 hasConcept C83581075 @default.
• W2617503521 hasConceptScore W2617503521C121332964 @default.
• W2617503521 hasConceptScore W2617503521C121864883 @default.
• W2617503521 hasConceptScore W2617503521C147597530 @default.
• W2617503521 hasConceptScore W2617503521C148093993 @default.
• W2617503521 hasConceptScore W2617503521C152365726 @default.
• W2617503521 hasConceptScore W2617503521C15744967 @default.

• next