Open AccessCalculation of the infrared spectrum of 4-Cyanostyrene by Hartree-Fock (HF) and Density Functional Theory (DFT)
Author(s) -
Kani Arıcı,
R. Yılmaz
Publication year - 2020
Publication title -
international journal of chemistry and technology
Language(s) - English
Resource type - Journals
ISSN - 2602-277X
DOI - 10.32571/ijct.756992
Subject(s) - density functional theory , hartree–fock method , basis set , basis (linear algebra) , scalar (mathematics) , infrared , ground state , molecule , spectrum (functional analysis) , atomic physics , chemistry , computational chemistry , physics , quantum mechanics , mathematics , geometry