Studying the enthalpy theory of reactions using Gussian software is a suitable alternative to expensive laboratory methods

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Mahmoudi Asl Sattar; Ithari Maryam; Rabbani Maryam; Barani Alireza; Riahi Mohammad Reza

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

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Journal: Research in Chemistry Education Year:2022 | Volume: | Issue: Page(s): 461-468

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Information Journal Paper

Title

Studying the enthalpy theory of reactions using Gussian software is a suitable alternative to expensive laboratory methods

Author(s)

Keywords

Enthalpy

expensive experiments

semi-empirical methods

Hartree-Fak

Abstract

expensive experiments are one of the cases that most chemistry researchers have encountered problems with, considering the development of chemistry software, examining and studying experiments in the context of chemistry software can be an important step in advancing the educational goals and interest of chemistry students. In this article, the importance of using From the chemistry software, attention has been paid to investigate the reaction or to study the thermodynamic process of chemical reactions. These methods can be a suitable alternative to investigate such studies. In this article, the importance of using chemistry software to investigate the reaction or to study the thermodynamic process of chemical reactions has been considered. These methods can be a suitable alternative to investigate such studies. Chemical reactions have been discussed and the results obtained from the calculations have been compared with the laboratory results. The comparison of the results shows that the obtained results have a good agreement with the laboratory results. The error percentage of the laboratory calculations with the ab intio results is about 0. 0034.

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APA: Copy

Mahmoudi Asl, Sattar, Ithari, Maryam, Rabbani, Maryam, Barani, Alireza, & Riahi, Mohammad Reza. (2022). Studying the enthalpy theory of reactions using Gussian software is a suitable alternative to expensive laboratory methods. RESEARCH IN CHEMISTRY EDUCATION, 4(2 ), 461-468. SID. https://sid.ir/paper/1067764/en

Vancouver: Copy

Mahmoudi Asl Sattar, Ithari Maryam, Rabbani Maryam, Barani Alireza, Riahi Mohammad Reza. Studying the enthalpy theory of reactions using Gussian software is a suitable alternative to expensive laboratory methods. RESEARCH IN CHEMISTRY EDUCATION[Internet]. 2022;4(2 ):461-468. Available from: https://sid.ir/paper/1067764/en

IEEE: Copy

Sattar Mahmoudi Asl, Maryam Ithari, Maryam Rabbani, Alireza Barani, and Mohammad Reza Riahi, “Studying the enthalpy theory of reactions using Gussian software is a suitable alternative to expensive laboratory methods,” RESEARCH IN CHEMISTRY EDUCATION, vol. 4, no. 2 , pp. 461–468, 2022, [Online]. Available: https://sid.ir/paper/1067764/en

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