Zobrazeno 1 - 4
of 4
pro vyhledávání: '"Mahnaz Jabbarzadeh Sani"'
Autor:
Mahnaz Jabbarzadeh Sani
Publikováno v:
HighTech and Innovation Journal, Vol 2, Iss 1, Pp 38-50 (2021)
Electrophilicity index (𝜔) is related to the energy lowering associated with a maximum amount of electron flow between a donor and an acceptor and possesses adequate information regarding structure, stability, reactivity and interactions. Chemical
Externí odkaz:
https://doaj.org/article/ca31c51b69864b23969e6e7ae576ae9c
Autor:
Mahnaz Jabbarzadeh Sani
Publikováno v:
Computational and Theoretical Chemistry. 1223:114100
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::024dcfd7cce3349b1e67effb139c42ca
https://doi.org/10.1016/j.comptc.2023.114100
https://doi.org/10.1016/j.comptc.2023.114100
Publikováno v:
Computational and Theoretical Chemistry. :18-28
This work uses the nonrelativistic and scalar-relativistic second-order Douglas-Kroll-Hess (DKH2) Hamiltonians together with the all-electron basis sets to determine the structures, stabilities and electronic properties of the small neutral gold clus
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4e35349744d2987f6694f2eefaff3cdc
https://doi.org/10.1016/j.comptc.2018.05.009
https://doi.org/10.1016/j.comptc.2018.05.009
Autor:
Mahnaz Jabbarzadeh Sani
Publikováno v:
Science Journal of Chemistry. 9:80
Herein we report the density functional theory (DFT) calculations of nonlinear optical (NLO) properties of neutral gold clusters Aun (n=2-10) applying long-range corrected LC-M06L functional and Los-Alamos National Laboratory double-ζ polarized basi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f7fa198189f62c9a267dd010f0948f31
https://doi.org/10.11648/j.sjc.20210904.11
https://doi.org/10.11648/j.sjc.20210904.11