Enthalpy of formation calculations on five-membered azaborolidine derivatives
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Molecular Structure"
DOI: 10.1016/j.molstruc.2020.128321
Abstract: Abstract The derivatives of azaborolidine are a class of 5-membered heterocyclic compounds containing a ring with nitrogen atoms and boron atoms. In this study, enthalpy of formation (H) of 5-membered boron-nitrogen heterocyclic species (BxNyHz) were… read more here.
Keywords: calculations five; enthalpy formation; formation; five membered ... See more keywords
Saturated-configuration-interaction calculations for five-valent Ta and Db
Sign Up to like & getrecommendations! Published in 2018 at "Physical Review A"
DOI: 10.1103/physreva.98.042508
Abstract: Accurate atomic structure calculations of complicated atoms with 4 or more valence electrons begin to push the memory and time limits of supercomputers. This paper presents a robust method of decreasing the size of \textit{ab… read more here.
Keywords: interaction calculations; calculations five; configuration; saturated configuration ... See more keywords