THERMODYNAMIC PARAMETERS OF CIS-PLATIN AND TRANS-PLATIN COMPLEXES WITH GUANINE IN WATER, A DFT STUDY

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NIKMARAM F.R.; KHAN AHMADI M.

مرکز اطلاعات علمی Scientific Information Database (SID) - Trusted Source for Research and Academic Resources

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Journal: JOURNAL OF PHYSICAL AND THEORETICAL CHEMISTRY Year:2014 | Volume:10 | Issue:4 Page(s): 211-214

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Title

THERMODYNAMIC PARAMETERS OF CIS-PLATIN AND TRANS-PLATIN COMPLEXES WITH GUANINE IN WATER, A DFT STUDY

Author(s)

NIKMARAM F.R. | KHAN AHMADI M. | Issue Writer Certificate

Keywords

CIS-PTQ2

TRANS-PTQ2

GUANINEQ1

BINDING ENERGYQ1

THERMODYNAMIC PARAMETERSQ1

Abstract

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 with GUANINE has been studied by density functional theory (DFT) calculations in water. The binding energies (Ebin) of cis- and trans-[Pt (NH3) 2ClG]+ are calculated to be 79.38 kcal/mol and 74.98 kcal/mol, respectively. The BINDING ENERGY (Ebin) of cis-[Pt (NH3) 2ClG]+ turns out to be energetically more 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 DG (Solv) equal to -10.36 kcal/mol is more favorable than trans-[Pt (NH3)2ClG]+(aq) with 16.21 kcal/mol.

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APA: Copy

NIKMARAM, F.R., & KHAN AHMADI, M.. (2014). THERMODYNAMIC PARAMETERS OF CIS-PLATIN AND TRANS-PLATIN COMPLEXES WITH GUANINE IN WATER, A DFT STUDY. JOURNAL OF PHYSICAL AND THEORETICAL CHEMISTRY, 10(4), 211-214. SID. https://sid.ir/paper/207743/en

Vancouver: Copy

NIKMARAM F.R., KHAN AHMADI M.. THERMODYNAMIC PARAMETERS OF CIS-PLATIN AND TRANS-PLATIN COMPLEXES WITH GUANINE IN WATER, A DFT STUDY. JOURNAL OF PHYSICAL AND THEORETICAL CHEMISTRY[Internet]. 2014;10(4):211-214. Available from: https://sid.ir/paper/207743/en

IEEE: Copy

F.R. NIKMARAM, and M. KHAN AHMADI, “THERMODYNAMIC PARAMETERS OF CIS-PLATIN AND TRANS-PLATIN COMPLEXES WITH GUANINE IN WATER, A DFT STUDY,” JOURNAL OF PHYSICAL AND THEORETICAL CHEMISTRY, vol. 10, no. 4, pp. 211–214, 2014, [Online]. Available: https://sid.ir/paper/207743/en

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