Matches in SemOpenAlex for { <https://semopenalex.org/work/W3124552010> ?p ?o ?g. }
- W3124552010 endingPage "124280" @default.
- W3124552010 startingPage "124280" @default.
- W3124552010 abstract "Abstract In this paper, we studied the structure, dipole moment, polarizability, and static first hyperpolarizability of linear phosphazenes. The relationship between the nonlinear optical (NLO) properties and the energy gaps was also taken into account. The structure of these phosphazenes has been performed using the B3LYP, ωB97X–D and M06–2X functionals. The linear and NLO properties of these compounds have shown selective responses to the different DFT levels that are in good agreement with the experimental values of similar compounds. The ωB97X–D functional gives a high static first hyperpolarizability compared to the B3LYP and M06–2X levels. An inverse relationship has been obtained between the HOMO–LUMO gaps and β tot . This theoretical study confirms the suitability of these phosphazenes for optoelectronic and optical devices." @default.
- W3124552010 created "2021-02-01" @default.
- W3124552010 creator A5050548616 @default.
- W3124552010 date "2021-04-01" @default.
- W3124552010 modified "2023-10-16" @default.
- W3124552010 title "Phosphates branching effect on the structure, linear and NLO properties of linear phosphazenes" @default.
- W3124552010 cites W1902875075 @default.
- W3124552010 cites W1965338902 @default.
- W3124552010 cites W1971275758 @default.
- W3124552010 cites W1974776112 @default.
- W3124552010 cites W1975708211 @default.
- W3124552010 cites W1975879685 @default.
- W3124552010 cites W1979621208 @default.
- W3124552010 cites W1981901797 @default.
- W3124552010 cites W1985560031 @default.
- W3124552010 cites W1988534318 @default.
- W3124552010 cites W1992000734 @default.
- W3124552010 cites W1996935408 @default.
- W3124552010 cites W1997353856 @default.
- W3124552010 cites W2008733452 @default.
- W3124552010 cites W2011936571 @default.
- W3124552010 cites W2012307419 @default.
- W3124552010 cites W2012478471 @default.
- W3124552010 cites W2014594384 @default.
- W3124552010 cites W2016237188 @default.
- W3124552010 cites W2017253436 @default.
- W3124552010 cites W2028704968 @default.
- W3124552010 cites W2038031100 @default.
- W3124552010 cites W2039847290 @default.
- W3124552010 cites W2040491926 @default.
- W3124552010 cites W2043753702 @default.
- W3124552010 cites W2050923523 @default.
- W3124552010 cites W2054462234 @default.
- W3124552010 cites W2054890939 @default.
- W3124552010 cites W2063508338 @default.
- W3124552010 cites W2065455315 @default.
- W3124552010 cites W2065739355 @default.
- W3124552010 cites W2068991207 @default.
- W3124552010 cites W2078136688 @default.
- W3124552010 cites W2078584756 @default.
- W3124552010 cites W2078762810 @default.
- W3124552010 cites W2082155748 @default.
- W3124552010 cites W2084024902 @default.
- W3124552010 cites W2084479509 @default.
- W3124552010 cites W2085647135 @default.
- W3124552010 cites W2089352366 @default.
- W3124552010 cites W2092777263 @default.
- W3124552010 cites W2106459831 @default.
- W3124552010 cites W2106930236 @default.
- W3124552010 cites W2108176894 @default.
- W3124552010 cites W2146561272 @default.
- W3124552010 cites W2148284063 @default.
- W3124552010 cites W2150757525 @default.
- W3124552010 cites W2153726907 @default.
- W3124552010 cites W2170499208 @default.
- W3124552010 cites W2184705921 @default.
- W3124552010 cites W2322315864 @default.
- W3124552010 cites W2322756780 @default.
- W3124552010 cites W2327933395 @default.
- W3124552010 cites W2329664700 @default.
- W3124552010 cites W2334926540 @default.
- W3124552010 cites W2444363157 @default.
- W3124552010 cites W2470623809 @default.
- W3124552010 cites W2491407888 @default.
- W3124552010 cites W2560795151 @default.
- W3124552010 cites W2765934457 @default.
- W3124552010 cites W2768079438 @default.
- W3124552010 cites W2900744556 @default.
- W3124552010 cites W2901038534 @default.
- W3124552010 cites W2919178434 @default.
- W3124552010 cites W2937654145 @default.
- W3124552010 cites W2943854779 @default.
- W3124552010 cites W2953269559 @default.
- W3124552010 cites W2953373281 @default.
- W3124552010 cites W2953670572 @default.
- W3124552010 cites W2969231041 @default.
- W3124552010 cites W2984760568 @default.
- W3124552010 cites W3005603209 @default.
- W3124552010 cites W3006789192 @default.
- W3124552010 cites W3012463160 @default.
- W3124552010 cites W3022083635 @default.
- W3124552010 cites W3033257765 @default.
- W3124552010 cites W3036786946 @default.
- W3124552010 cites W3041676786 @default.
- W3124552010 cites W3082052092 @default.
- W3124552010 cites W4210949282 @default.
- W3124552010 cites W4254754867 @default.
- W3124552010 doi "https://doi.org/10.1016/j.matchemphys.2021.124280" @default.
- W3124552010 hasPublicationYear "2021" @default.
- W3124552010 type Work @default.
- W3124552010 sameAs 3124552010 @default.
- W3124552010 citedByCount "7" @default.
- W3124552010 countsByYear W31245520102021 @default.
- W3124552010 countsByYear W31245520102022 @default.
- W3124552010 countsByYear W31245520102023 @default.
- W3124552010 crossrefType "journal-article" @default.
- W3124552010 hasAuthorship W3124552010A5050548616 @default.
- W3124552010 hasConcept C159985019 @default.