Theoretical Investigation of Different Models of Solvent on the Cis-Platin Drug
عنوان مقاله: Theoretical Investigation of Different Models of Solvent on the Cis-Platin Drug
شناسه ملی مقاله: TCPCO02_078
منتشر شده در دومین همایش ملی تکنولوژی های نوین در شیمی و پتروشیمی در سال 1394
شناسه ملی مقاله: TCPCO02_078
منتشر شده در دومین همایش ملی تکنولوژی های نوین در شیمی و پتروشیمی در سال 1394
مشخصات نویسندگان مقاله:
f.r Nikmaram - Department of Chemistry, Faculty of Science,Yadegar - e- Imam Khomeini (RAH)Branch, Islamic Azad University, Tehran
j Najafpourand - Department of Chemistry, Faculty of Science,Yadegar - e- Imam Khomeini (RAH)Branch, Islamic Azad University, Tehran
l Fattahian - Department of Chemistry, Faculty of Science,Yadegar - e- Imam Khomeini (RAH)Branch, Islamic Azad University, Tehran
خلاصه مقاله:
f.r Nikmaram - Department of Chemistry, Faculty of Science,Yadegar - e- Imam Khomeini (RAH)Branch, Islamic Azad University, Tehran
j Najafpourand - Department of Chemistry, Faculty of Science,Yadegar - e- Imam Khomeini (RAH)Branch, Islamic Azad University, Tehran
l Fattahian - Department of Chemistry, Faculty of Science,Yadegar - e- Imam Khomeini (RAH)Branch, Islamic Azad University, Tehran
In this study, the thermodynamic properties of the connection of Cis-Platin with Guanine have been investigated by B3LYP/ LANL2DZ level of density functional theory at thedifferent models of water solvent (PCM, IEFPCM, CPCM).The results show that the formation of cis-pt complex with guanine in CPCM model is more favorable than the other models.
کلمات کلیدی: Cis-Platin ; Guanine ;, Solvent Models ; DFT
صفحه اختصاصی مقاله و دریافت فایل کامل: https://civilica.com/doc/391780/