FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2891776487> ?p ?o ?g. }

• W2891776487 abstract "Abstract In this paper we introduce a DFT‐D ‘flexible‐cluster’ approach to the computational modeling of MgCl 2 ‐supported Ziegler‐Natta catalysts. The adsorption of TiCl 4 and probe donor molecules on plain and defective lateral terminations of monolayered MgCl 2 clusters was studied allowing for full structure relaxation by means of modern DFT methods including dispersion corrections. The approach offers a good compromise between speed and accuracy, and has great potential for realistic simulations of the catalytic species in industrially relevant formulations. In particular, compared with periodic DFT‐D descriptions, it is better able to capture the features of real nano‐sized and highly disordered primary catalyst particles with complex adsorbate compositions." @default.
• W2891776487 created "2018-09-27" @default.
• W2891776487 creator A5002877467 @default.
• W2891776487 creator A5004031762 @default.
• W2891776487 creator A5030308907 @default.
• W2891776487 creator A5034555955 @default.
• W2891776487 creator A5044071479 @default.
• W2891776487 creator A5065236891 @default.
• W2891776487 date "2018-09-04" @default.
• W2891776487 modified "2023-09-30" @default.
• W2891776487 title "MgCl₂ -supported Ziegler-Natta catalysts: A DFT-D ‘flexible-cluster’ approach. TiCl₄ and probe donor adducts" @default.
• W2891776487 cites W1816102059 @default.
• W2891776487 cites W1963683620 @default.
• W2891776487 cites W1963876808 @default.
• W2891776487 cites W1968039130 @default.
• W2891776487 cites W1970469241 @default.
• W2891776487 cites W1971803051 @default.
• W2891776487 cites W1973842445 @default.
• W2891776487 cites W1974644368 @default.
• W2891776487 cites W1985355992 @default.
• W2891776487 cites W1988091937 @default.
• W2891776487 cites W1989727271 @default.
• W2891776487 cites W1992795087 @default.
• W2891776487 cites W1996140759 @default.
• W2891776487 cites W1998799881 @default.
• W2891776487 cites W1999685075 @default.
• W2891776487 cites W2000246038 @default.
• W2891776487 cites W2003609201 @default.
• W2891776487 cites W2007639214 @default.
• W2891776487 cites W2010098210 @default.
• W2891776487 cites W2011141511 @default.
• W2891776487 cites W2011775791 @default.
• W2891776487 cites W2014834359 @default.
• W2891776487 cites W2016800344 @default.
• W2891776487 cites W2023599681 @default.
• W2891776487 cites W2023679860 @default.
• W2891776487 cites W2025740208 @default.
• W2891776487 cites W2028022118 @default.
• W2891776487 cites W2029259906 @default.
• W2891776487 cites W2032719166 @default.
• W2891776487 cites W2039574885 @default.
• W2891776487 cites W2040294115 @default.
• W2891776487 cites W2044591029 @default.
• W2891776487 cites W2046248045 @default.
• W2891776487 cites W2049079467 @default.
• W2891776487 cites W2050287017 @default.
• W2891776487 cites W2054696978 @default.
• W2891776487 cites W2059268380 @default.
• W2891776487 cites W2071772034 @default.
• W2891776487 cites W2073978284 @default.
• W2891776487 cites W2075485768 @default.
• W2891776487 cites W2078035483 @default.
• W2891776487 cites W2078146328 @default.
• W2891776487 cites W2084679464 @default.
• W2891776487 cites W2085341294 @default.
• W2891776487 cites W2086532419 @default.
• W2891776487 cites W2088885839 @default.
• W2891776487 cites W2094077535 @default.
• W2891776487 cites W2106195248 @default.
• W2891776487 cites W2112529330 @default.
• W2891776487 cites W2119547517 @default.
• W2891776487 cites W2139585762 @default.
• W2891776487 cites W2148941593 @default.
• W2891776487 cites W2232091078 @default.
• W2891776487 cites W2290733403 @default.
• W2891776487 cites W2317269990 @default.
• W2891776487 cites W2324595262 @default.
• W2891776487 cites W2326185588 @default.
• W2891776487 cites W2332306178 @default.
• W2891776487 cites W2333468926 @default.
• W2891776487 cites W2499787940 @default.
• W2891776487 cites W2619609791 @default.
• W2891776487 cites W2620504503 @default.
• W2891776487 cites W2768946104 @default.
• W2891776487 cites W2796336453 @default.
• W2891776487 cites W4239396415 @default.
• W2891776487 cites W4243146380 @default.
• W2891776487 cites W4376848495 @default.
• W2891776487 cites W54276657 @default.
• W2891776487 doi "https://doi.org/10.1002/qua.25721" @default.
• W2891776487 hasPublicationYear "2018" @default.
• W2891776487 type Work @default.
• W2891776487 sameAs 2891776487 @default.
• W2891776487 citedByCount "14" @default.
• W2891776487 countsByYear W28917764872018 @default.
• W2891776487 countsByYear W28917764872019 @default.
• W2891776487 countsByYear W28917764872020 @default.
• W2891776487 countsByYear W28917764872021 @default.
• W2891776487 countsByYear W28917764872022 @default.
• W2891776487 countsByYear W28917764872023 @default.
• W2891776487 crossrefType "journal-article" @default.
• W2891776487 hasAuthorship W2891776487A5002877467 @default.
• W2891776487 hasAuthorship W2891776487A5004031762 @default.
• W2891776487 hasAuthorship W2891776487A5030308907 @default.
• W2891776487 hasAuthorship W2891776487A5034555955 @default.
• W2891776487 hasAuthorship W2891776487A5044071479 @default.
• W2891776487 hasAuthorship W2891776487A5065236891 @default.
• W2891776487 hasConcept C108204754 @default.
• W2891776487 hasConcept C121332964 @default.
• W2891776487 hasConcept C147597530 @default.

• next