Repozytorium
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Kolekcje
Inne
Molecular structure and electric properties of N-methyl-N-nitroaniline and its derivatives.
Autorzy
Rok wydania
2001
Czasopismo
Journal of Molecular Structure
Numer woluminu
559
Strony
321-330
DOI
10.1016/S0022-2860(00)00707-9
Kolekcja
Język
Angielski
Typ publikacji
Artykuł
A comparative study of the molecular structure of N-methyl-N-nitroaniline and its derivatives is carried out employing the Kerr effect and dipole moments methods in combination with the crystallographic analysis. The obtained experimental structural data agree with the quantum-chemical calculations by the B3LYP/6-31G∗ and MP2/3-21G∗ methods. The measurement and calculation results are used to draw conclusions about the mutual interaction and role of various substituents to the N-methyl-N-nitroaniline molecule.
Słowa kluczowe
Molecular structure, Dipole moment, Kerr constant, N-methyl-N-nitroaniline and its derivatives, N, N-dimethylnitramine
Adres publiczny
https://doi.org/10.1016/S0022-2860(00)00707-9
Strona internetowa wydawcy
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