FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2053571812> ?p ?o ?g. }

• W2053571812 endingPage "2466" @default.
• W2053571812 startingPage "2457" @default.
• W2053571812 abstract "The modification of the electrostatic continuum solvent model considered in the present work is based on the exact solution of the Poisson equation, which can be constructed provided that the dielectric permittivity ε of the total solute and solvent system is an isotropic and continuous spatial function. This assumption allows one to formulate a numerically efficient and universal computational scheme that covers the important case of a variable ε function inherent to the solvent region. The obtained type of solution is unavailable for conventional dielectric continuum models such as the Onsager and Kirkwood models for spherical cavities and the polarizable continuum model (PCM) for solute cavities of general shape, which imply that ε is discontinuous on the boundary confining the excluded volume cavity of the solute particle. Test computations based on the present algorithm are performed for water and several nonaqueous solvents. They illustrate specific features of this approach, called the “smooth boundary continuum model” (SBCM), as compared to the PCM procedure, and suggest primary tentative results of its parametrization for different solvents. The calculation for the case of a binary solvent mixture with variable ε in the solvent space region demonstrates the applicability of this approach to a novel application field covered by the SBCM." @default.
• W2053571812 created "2016-06-24" @default.
• W2053571812 creator A5026733952 @default.
• W2053571812 creator A5037511745 @default.
• W2053571812 creator A5045840976 @default.
• W2053571812 creator A5079365659 @default.
• W2053571812 date "2010-01-29" @default.
• W2053571812 modified "2023-10-17" @default.
• W2053571812 title "Implicit Electrostatic Solvent Model with Continuous Dielectric Permittivity Function" @default.
• W2053571812 cites W1966526996 @default.
• W2053571812 cites W1966867657 @default.
• W2053571812 cites W1977886807 @default.
• W2053571812 cites W1978172219 @default.
• W2053571812 cites W1991816488 @default.
• W2053571812 cites W1996409377 @default.
• W2053571812 cites W1997151511 @default.
• W2053571812 cites W2009570988 @default.
• W2053571812 cites W2009943548 @default.
• W2053571812 cites W2010884302 @default.
• W2053571812 cites W2019256909 @default.
• W2053571812 cites W2026467865 @default.
• W2053571812 cites W2031895506 @default.
• W2053571812 cites W2038083805 @default.
• W2053571812 cites W2055213812 @default.
• W2053571812 cites W2055563809 @default.
• W2053571812 cites W2060212880 @default.
• W2053571812 cites W2073328513 @default.
• W2053571812 cites W2076067063 @default.
• W2053571812 cites W2077264324 @default.
• W2053571812 cites W2082810775 @default.
• W2053571812 cites W2134427214 @default.
• W2053571812 cites W2151796869 @default.
• W2053571812 cites W2326203395 @default.
• W2053571812 cites W2506454045 @default.
• W2053571812 cites W4229709053 @default.
• W2053571812 doi "https://doi.org/10.1021/jp9064399" @default.
• W2053571812 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/20166682" @default.
• W2053571812 hasPublicationYear "2010" @default.
• W2053571812 type Work @default.
• W2053571812 sameAs 2053571812 @default.
• W2053571812 citedByCount "11" @default.
• W2053571812 countsByYear W20535718122012 @default.
• W2053571812 countsByYear W20535718122013 @default.
• W2053571812 countsByYear W20535718122016 @default.
• W2053571812 countsByYear W20535718122018 @default.
• W2053571812 countsByYear W20535718122021 @default.
• W2053571812 crossrefType "journal-article" @default.
• W2053571812 hasAuthorship W2053571812A5026733952 @default.
• W2053571812 hasAuthorship W2053571812A5037511745 @default.
• W2053571812 hasAuthorship W2053571812A5045840976 @default.
• W2053571812 hasAuthorship W2053571812A5079365659 @default.
• W2053571812 hasConcept C11413529 @default.
• W2053571812 hasConcept C117626034 @default.
• W2053571812 hasConcept C121332964 @default.
• W2053571812 hasConcept C121864883 @default.
• W2053571812 hasConcept C132439834 @default.
• W2053571812 hasConcept C133386390 @default.
• W2053571812 hasConcept C147789679 @default.
• W2053571812 hasConcept C148093993 @default.
• W2053571812 hasConcept C168651791 @default.
• W2053571812 hasConcept C178790620 @default.
• W2053571812 hasConcept C182310444 @default.
• W2053571812 hasConcept C184050105 @default.
• W2053571812 hasConcept C185592680 @default.
• W2053571812 hasConcept C18762648 @default.
• W2053571812 hasConcept C192562407 @default.
• W2053571812 hasConcept C202887219 @default.
• W2053571812 hasConcept C2776122248 @default.
• W2053571812 hasConcept C2779455329 @default.
• W2053571812 hasConcept C2780471494 @default.
• W2053571812 hasConcept C33923547 @default.
• W2053571812 hasConcept C45374587 @default.
• W2053571812 hasConcept C62520636 @default.
• W2053571812 hasConcept C74902906 @default.
• W2053571812 hasConcept C97355855 @default.
• W2053571812 hasConceptScore W2053571812C11413529 @default.
• W2053571812 hasConceptScore W2053571812C117626034 @default.
• W2053571812 hasConceptScore W2053571812C121332964 @default.
• W2053571812 hasConceptScore W2053571812C121864883 @default.
• W2053571812 hasConceptScore W2053571812C132439834 @default.
• W2053571812 hasConceptScore W2053571812C133386390 @default.
• W2053571812 hasConceptScore W2053571812C147789679 @default.
• W2053571812 hasConceptScore W2053571812C148093993 @default.
• W2053571812 hasConceptScore W2053571812C168651791 @default.
• W2053571812 hasConceptScore W2053571812C178790620 @default.
• W2053571812 hasConceptScore W2053571812C182310444 @default.
• W2053571812 hasConceptScore W2053571812C184050105 @default.
• W2053571812 hasConceptScore W2053571812C185592680 @default.
• W2053571812 hasConceptScore W2053571812C18762648 @default.
• W2053571812 hasConceptScore W2053571812C192562407 @default.
• W2053571812 hasConceptScore W2053571812C202887219 @default.
• W2053571812 hasConceptScore W2053571812C2776122248 @default.
• W2053571812 hasConceptScore W2053571812C2779455329 @default.
• W2053571812 hasConceptScore W2053571812C2780471494 @default.
• W2053571812 hasConceptScore W2053571812C33923547 @default.
• W2053571812 hasConceptScore W2053571812C45374587 @default.
• W2053571812 hasConceptScore W2053571812C62520636 @default.
• W2053571812 hasConceptScore W2053571812C74902906 @default.

• next