Thermodynamic Parameters of Cis-Platin and Trans-Platin Complexes with Guanine in Water, A DFT Study
نویسندگان
چکیده مقاله:
The binding energy and Thermodynamic Parameters of cis- Platinum Di Ammino Chlorine (cis-[Pt(NH3)2Cl]+) and trans- Platinum Di Ammino Chlorine (trans- [Pt(NH3)2Cl]+) complexes withGuanine has been studied by density functional theory (DFT) calculations in water. The bindingenergies (Ebin) of cis- and trans-[Pt(NH3)2ClG]+ are calculated to be 79.38 kcal/mol and 74.98kcal/mol, respectively. The binding energy (Ebin) of cis-[Pt(NH3)2ClG]+ turns out to be energeticallymore favorable by about 1.88 kcal/mol than the trans-[Pt(NH3)2Cl]+. At the point of thermodynamic,the formation of cis-[Pt(NH3)2ClG]+(aq)with G (Solv) equal to -10.36 kcal/mol is more favorablethan trans-[Pt(NH3)2ClG]+(aq) with 16.21 kcal/mol.
منابع مشابه
thermodynamic parameters of cis-platin and trans-platin complexes with guanine in water, a dft study
the binding energy and thermodynamic parameters of cis- platinum di ammino chlorine (cis-[pt(nh3)2cl]+) and trans- platinum di ammino chlorine (trans- [pt(nh3)2cl]+) complexes withguanine has been studied by density functional theory (dft) calculations in water. the bindingenergies (ebin) of cis- and trans-[pt(nh3)2clg]+ are calculated to be 79.38 kcal/mol and 74.98kcal/mol, respectively. the b...
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عنوان ژورنال
دوره 10 شماره 4
صفحات 211- 214
تاریخ انتشار 2014-01-01
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