Zobrazeno 1 - 5
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pro vyhledávání: '"Elahe Rajaeian"'
Autor:
Elahe Rajaeian
Publikováno v:
Iranian Journal of Chemistry & Chemical Engineering, Vol 38, Iss 5, Pp 99-110 (2019)
In this study, reactions of the simple cycloalkynes with substituted Nitrile Oxides, by DFT method will be discussed. The investigation of the structural properties, theoretical thermodynamic and kinetic data, i.e., the activation free energies(DG*),
Externí odkaz:
https://doaj.org/article/fc45c23114054bb19d02e8b33996af53
Autor:
Elahe Rajaeian, Avat (Arman) Taherpour
Publikováno v:
Iranian Journal of Chemistry & Chemical Engineering, Vol 36, Iss 2, Pp 7-15 (2017)
The reactions of propenyl magnesium halides with ethylene were studied using ab initio calculations. The structure of the transition state and the ground state were evaluated and obtained the structural properties, theoretical thermodynamic and kinet
Externí odkaz:
https://doaj.org/article/69b7b9685c004e9f8463c642ee17c147
Publikováno v:
Iranian Journal of Science and Technology, Transactions A: Science. 41:1139-1148
The 1,3-dipolar cycloaddition reactions also known as the Huisgen cycloaddition are one of the most widely used and versatile preparative methods in hetrocyclic chemistry. In this study, the reactivity and strain energy effect of the simple cycloalky
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::bcd1daedc15f561bb97863f10509fb91
https://doi.org/10.1007/s40995-016-0053-4
https://doi.org/10.1007/s40995-016-0053-4
Autor:
Sharieh, Hosseini, Majid, Monajjemi, Elahe, Rajaeian, Mohammad, Haghgu, Aliakbar, Salari, Mohammad Reza, Gholami
Publikováno v:
Iranian Journal of Pharmaceutical Research : IJPR
Pyrazine derivatives are important class of compounds with diverse biological and cytotoxic activities and clinical applications. In this study, B3 p 86 / 6 - 31 (+ +) G * was used to compute and map the molecular surface electrostatic potentials of
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::ba2b4308dff63eee1e17e9cecd5e862a
https://pubmed.ncbi.nlm.nih.gov/24523754
https://pubmed.ncbi.nlm.nih.gov/24523754
Autor:
Elahe Rajaeian, Avat Arman Taherpour
Publikováno v:
Journal of Molecular Structure: THEOCHEM. 849:23-24
The energy content in alkynes may be increased further by bending the normally linear triple bond, as in the small cycloalkynes. Cycloadditions of 1,3-dipoles may occur by concerted mechanisms. In this study, the reactivity and strain energy effect o
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c6c0b468873144e9885cb7f3ad23ae91
https://doi.org/10.1016/j.theochem.2007.10.001
https://doi.org/10.1016/j.theochem.2007.10.001