Sign in to unlock AI Chat and more features
Molecular electrostatic potential mapping for PANI emeraldine salts and PANI@Ag core-shell
Citations:
19
References:
25
Abstract
The quantum mechanical calculations have been utilized using the density function theory (DFT) by B3LYP method on the basis set 6-31g(d,p) to calculate the single point energy of Polyaniline emeraldine nitrate salt (PANI-nitrate). Polyaniline emeraldine sulphate (PANI-Sulphate) was also calculated on the same level. At the end the PANI-nitrate@Ag core-shell was calculated on the same level of calc...
Keywords
Sustainable Development Goals (SDG)
2019
Article
Open Access
Molecular electrostatic potential mapping for PANI emeraldine salts and PANI@Ag core-shell
Citations:
19
References:
25
Abstract
The quantum mechanical calculations have been utilized using the density function theory (DFT) by B3LYP method on the basis set 6-31g(d,p) to calculate the single point energy of Polyaniline emeraldine nitrate salt (PANI-nitrate). Polyaniline emeraldine sulphate (PANI-Sulphate) was also calculated on the same level. At the end the PANI-nitrate@Ag core-shell was calculated on the same level of calc...
Keywords
Sustainable Development Goals (SDG)
2019
Article
Open Access