Matches in SemOpenAlex for { <https://semopenalex.org/work/W2084038559> ?p ?o ?g. }
- W2084038559 endingPage "1844" @default.
- W2084038559 startingPage "1833" @default.
- W2084038559 abstract "The structural and electronic properties of homoatomic chains consisting of up to five Br-atoms are studied by means of the linear combination of Gaussian-type orbitals–local spin density method including nonlocal corrections to the exchange and correlation energy. A highly flexible basis set is used and the effects of introducing additional diffuse basis functions are examined. By comparison of the results for atomic Br and Br2 with those from very accurate correlated ab initio calculations the quality of the present method is established. Based on these results neutral and singly charged Br3, Br4 and Br5 are investigated, for which very few accurate data exist in literature. Geometries, harmonic vibrational frequencies, ionization potentials, electron affinities and charge distributions are reported and found in satisfactory agreement with available experimental data." @default.
- W2084038559 created "2016-06-24" @default.
- W2084038559 creator A5001129387 @default.
- W2084038559 creator A5060503864 @default.
- W2084038559 creator A5061419535 @default.
- W2084038559 date "1998-08-01" @default.
- W2084038559 modified "2023-10-16" @default.
- W2084038559 title "All electron density functional study of neutral and ionic polybromine clusters" @default.
- W2084038559 cites W122984481 @default.
- W2084038559 cites W1641647424 @default.
- W2084038559 cites W1914062424 @default.
- W2084038559 cites W1964802518 @default.
- W2084038559 cites W1965555853 @default.
- W2084038559 cites W1971587718 @default.
- W2084038559 cites W1971822312 @default.
- W2084038559 cites W1975717777 @default.
- W2084038559 cites W1976428411 @default.
- W2084038559 cites W1978194545 @default.
- W2084038559 cites W1979094066 @default.
- W2084038559 cites W1981675308 @default.
- W2084038559 cites W1982437834 @default.
- W2084038559 cites W1984095454 @default.
- W2084038559 cites W1987680495 @default.
- W2084038559 cites W1993383767 @default.
- W2084038559 cites W2002939029 @default.
- W2084038559 cites W2004877583 @default.
- W2084038559 cites W2007318850 @default.
- W2084038559 cites W2010184869 @default.
- W2084038559 cites W2010209006 @default.
- W2084038559 cites W2012456082 @default.
- W2084038559 cites W2012955666 @default.
- W2084038559 cites W2013681136 @default.
- W2084038559 cites W2014924689 @default.
- W2084038559 cites W2021419100 @default.
- W2084038559 cites W2021710723 @default.
- W2084038559 cites W2023271753 @default.
- W2084038559 cites W2028097711 @default.
- W2084038559 cites W2029864314 @default.
- W2084038559 cites W2030976617 @default.
- W2084038559 cites W2031429715 @default.
- W2084038559 cites W2038533471 @default.
- W2084038559 cites W2040817145 @default.
- W2084038559 cites W2041086453 @default.
- W2084038559 cites W2045304941 @default.
- W2084038559 cites W2049210815 @default.
- W2084038559 cites W2049508790 @default.
- W2084038559 cites W2051094745 @default.
- W2084038559 cites W2056956877 @default.
- W2084038559 cites W2061357850 @default.
- W2084038559 cites W2062600266 @default.
- W2084038559 cites W2067544356 @default.
- W2084038559 cites W2071936448 @default.
- W2084038559 cites W2072075384 @default.
- W2084038559 cites W2085966856 @default.
- W2084038559 cites W2086049162 @default.
- W2084038559 cites W2086957099 @default.
- W2084038559 cites W2092596510 @default.
- W2084038559 cites W2094170110 @default.
- W2084038559 cites W2094667241 @default.
- W2084038559 cites W2095245360 @default.
- W2084038559 cites W2095275722 @default.
- W2084038559 cites W2102539296 @default.
- W2084038559 cites W2133524519 @default.
- W2084038559 cites W2143981217 @default.
- W2084038559 cites W2144119171 @default.
- W2084038559 cites W2146561272 @default.
- W2084038559 cites W2148941593 @default.
- W2084038559 cites W2163914696 @default.
- W2084038559 cites W2165987614 @default.
- W2084038559 cites W2166161434 @default.
- W2084038559 cites W2169388591 @default.
- W2084038559 cites W2323871037 @default.
- W2084038559 cites W2327774943 @default.
- W2084038559 cites W252245493 @default.
- W2084038559 cites W2817997336 @default.
- W2084038559 cites W2951732112 @default.
- W2084038559 cites W3138165525 @default.
- W2084038559 doi "https://doi.org/10.1063/1.476759" @default.
- W2084038559 hasPublicationYear "1998" @default.
- W2084038559 type Work @default.
- W2084038559 sameAs 2084038559 @default.
- W2084038559 citedByCount "21" @default.
- W2084038559 countsByYear W20840385592013 @default.
- W2084038559 countsByYear W20840385592014 @default.
- W2084038559 countsByYear W20840385592015 @default.
- W2084038559 countsByYear W20840385592016 @default.
- W2084038559 countsByYear W20840385592017 @default.
- W2084038559 countsByYear W20840385592019 @default.
- W2084038559 countsByYear W20840385592020 @default.
- W2084038559 countsByYear W20840385592021 @default.
- W2084038559 countsByYear W20840385592023 @default.
- W2084038559 crossrefType "journal-article" @default.
- W2084038559 hasAuthorship W2084038559A5001129387 @default.
- W2084038559 hasAuthorship W2084038559A5060503864 @default.
- W2084038559 hasAuthorship W2084038559A5061419535 @default.
- W2084038559 hasConcept C121332964 @default.
- W2084038559 hasConcept C145148216 @default.
- W2084038559 hasConcept C147120987 @default.