Title : ( NBO Analysis of Fe (III)-salen and Fe (III)-salen-like complexes as potent anticancer agents )
Authors: zahra ghanbari , Mohammad Izadyar , Mohammad Reza Housaindokht ,
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Abstract
DFT calculations, at B3LYP level in gas phase, have been performed on these structures. All computations were performed using the Gaussian 03 and AIM software. Natural bond orbital(NBO), atoms in molecule (AIM), surface of the electrostatic potential on the electron density surface were used in order to interpret antitumor activity of these complexes.
Keywords
, Anti-Tumor activity , NBO, Fe (III)-salen , Fe (III)-salen-like complexes, electronic charge density
@inproceedings{paperid:1029507,
author = {Ghanbari, Zahra and Izadyar, Mohammad and Housaindokht, Mohammad Reza},
title = {NBO Analysis of Fe (III)-salen and Fe (III)-salen-like complexes as potent anticancer agents},
booktitle = {15th Iranian Physical Chemistry Conference},
year = {2012},
location = {Tehran, IRAN},
keywords = {Anti-Tumor activity ; NBO; Fe (III)-salen ; Fe (III)-salen-like complexes; electronic charge density},
}
%0 Conference Proceedings
%T NBO Analysis of Fe (III)-salen and Fe (III)-salen-like complexes as potent anticancer agents
%A Ghanbari, Zahra
%A Izadyar, Mohammad
%A Housaindokht, Mohammad Reza
%J 15th Iranian Physical Chemistry Conference
%D 2012
