Matches in SemOpenAlex for { <https://semopenalex.org/work/W3147998101> ?p ?o ?g. }
- W3147998101 endingPage "2083" @default.
- W3147998101 startingPage "2083" @default.
- W3147998101 abstract "Bond energy is the main characteristic of chemical bonds in general and of non-covalent interactions in particular. Simple methods of express estimates of the interaction energy, Eint, using relationships between Eint and a property which is easily accessible from experiment is of great importance for the characterization of non-covalent interactions. In this work, practically important relationships between Eint and electron density, its Laplacian, curvature, potential, kinetic, and total energy densities at the bond critical point as well as bond length were derived for the structures of the [Z–I···Hal]− and [Z–Hal···I]− types bearing halogen bonds and involving iodine as interacting atom(s) (totally 412 structures). The mean absolute deviations for the correlations found were 2.06–4.76 kcal/mol." @default.
- W3147998101 created "2021-04-13" @default.
- W3147998101 creator A5045499776 @default.
- W3147998101 date "2021-04-05" @default.
- W3147998101 modified "2023-10-01" @default.
- W3147998101 title "Strength of the [Z–I···Hal]− and [Z–Hal···I]− Halogen Bonds: Electron Density Properties and Halogen Bond Length as Estimators of Interaction Energy" @default.
- W3147998101 cites W1869702584 @default.
- W3147998101 cites W1964094071 @default.
- W3147998101 cites W1964132500 @default.
- W3147998101 cites W1964197053 @default.
- W3147998101 cites W1966235871 @default.
- W3147998101 cites W1967976946 @default.
- W3147998101 cites W1969169061 @default.
- W3147998101 cites W1973235467 @default.
- W3147998101 cites W1976311609 @default.
- W3147998101 cites W1978432290 @default.
- W3147998101 cites W1981111904 @default.
- W3147998101 cites W1981139778 @default.
- W3147998101 cites W1984117022 @default.
- W3147998101 cites W1985412264 @default.
- W3147998101 cites W1985881205 @default.
- W3147998101 cites W1986007884 @default.
- W3147998101 cites W1987276686 @default.
- W3147998101 cites W1987401917 @default.
- W3147998101 cites W1987842639 @default.
- W3147998101 cites W1989140173 @default.
- W3147998101 cites W1989469532 @default.
- W3147998101 cites W1989643384 @default.
- W3147998101 cites W1990449537 @default.
- W3147998101 cites W1991061950 @default.
- W3147998101 cites W1992182813 @default.
- W3147998101 cites W1992242587 @default.
- W3147998101 cites W1992487886 @default.
- W3147998101 cites W1996931154 @default.
- W3147998101 cites W1999404597 @default.
- W3147998101 cites W1999798503 @default.
- W3147998101 cites W2002754451 @default.
- W3147998101 cites W2004604361 @default.
- W3147998101 cites W2004922260 @default.
- W3147998101 cites W2005619234 @default.
- W3147998101 cites W2009063510 @default.
- W3147998101 cites W2011165954 @default.
- W3147998101 cites W2020357252 @default.
- W3147998101 cites W2020917339 @default.
- W3147998101 cites W202392400 @default.
- W3147998101 cites W2024100428 @default.
- W3147998101 cites W2026296044 @default.
- W3147998101 cites W2028560669 @default.
- W3147998101 cites W2034779428 @default.
- W3147998101 cites W2036095283 @default.
- W3147998101 cites W2038187498 @default.
- W3147998101 cites W2039284388 @default.
- W3147998101 cites W2042629681 @default.
- W3147998101 cites W2043557793 @default.
- W3147998101 cites W2043759893 @default.
- W3147998101 cites W2045783598 @default.
- W3147998101 cites W2046114686 @default.
- W3147998101 cites W2047500167 @default.
- W3147998101 cites W2049278517 @default.
- W3147998101 cites W2050667673 @default.
- W3147998101 cites W2052775139 @default.
- W3147998101 cites W2056031677 @default.
- W3147998101 cites W2056676991 @default.
- W3147998101 cites W2057119195 @default.
- W3147998101 cites W2057747671 @default.
- W3147998101 cites W2058312969 @default.
- W3147998101 cites W2063561619 @default.
- W3147998101 cites W2067200886 @default.
- W3147998101 cites W2069931511 @default.
- W3147998101 cites W2072372450 @default.
- W3147998101 cites W2074518029 @default.
- W3147998101 cites W2076853307 @default.
- W3147998101 cites W2084479608 @default.
- W3147998101 cites W2087276073 @default.
- W3147998101 cites W2089962804 @default.
- W3147998101 cites W2090666427 @default.
- W3147998101 cites W2090895527 @default.
- W3147998101 cites W2091189724 @default.
- W3147998101 cites W2093285190 @default.
- W3147998101 cites W2093981928 @default.
- W3147998101 cites W2094742663 @default.
- W3147998101 cites W2096425127 @default.
- W3147998101 cites W2098098852 @default.
- W3147998101 cites W2100695107 @default.
- W3147998101 cites W2106568180 @default.
- W3147998101 cites W2121143800 @default.
- W3147998101 cites W2122923591 @default.
- W3147998101 cites W2125297144 @default.
- W3147998101 cites W2128408744 @default.
- W3147998101 cites W2132680031 @default.
- W3147998101 cites W2136168875 @default.
- W3147998101 cites W2141387119 @default.
- W3147998101 cites W2142257792 @default.
- W3147998101 cites W2145814047 @default.
- W3147998101 cites W2148941593 @default.
- W3147998101 cites W2150697053 @default.
- W3147998101 cites W2152661002 @default.
- W3147998101 cites W2153188947 @default.