Zobrazeno 1 - 10
of 14
pro vyhledávání: '"Hamed Douroudgari"'
Publikováno v:
Scientific Reports, Vol 13, Iss 1, Pp 1-37 (2023)
Abstract Organic alcohols as very volatile compounds play a crucial role in the air quality of the atmosphere. So, the removal processes of such compounds are an important atmospheric challenge. The main goal of this research is to discover the atmos
Externí odkaz:
https://doaj.org/article/b85e855cdab843e780b08904a361ba3d
Publikováno v:
Scientific Reports, Vol 12, Iss 1, Pp 1-23 (2022)
Abstract Water as an important assistant can alter the reactivity of atmospheric species. This project is designed to investigate the impact of a single water molecule on the atmospheric reactions of aromatic compounds that have not been attended to
Externí odkaz:
https://doaj.org/article/039cb32f614d4ea9aa72649caf4bd276
Autor:
Hamed Douroudgari, Morteza Vahedpour
Publikováno v:
Scientific Reports, Vol 11, Iss 1, Pp 1-25 (2021)
Abstract The chemical resistance of drugs against any change in their composition and studying the rate of multiwell-multichannel reactions in the liquid phase, respectively, are the important challenges of pharmacology and chemistry. In this article
Externí odkaz:
https://doaj.org/article/462450179ebb44388114ac163ce3ba05
Publikováno v:
Scientific Reports, Vol 11, Iss 1, Pp 1-20 (2021)
Abstract The reaction mechanisms and kinetics of thiophene oxidation reactions initiated by hydroperoxyl radical, and decomposition of the related intermediates and complexes, have been considered herein by using high-level DFT and ab initio calculat
Externí odkaz:
https://doaj.org/article/d0c7c85d56554b859a9ef59c8224c132
Publikováno v:
Scientific Reports, Vol 11, Iss 1, Pp 1-16 (2021)
Abstract Understanding the mechanism of hydrazine oxidation reaction by OH radical along with the rate constants of all possible pathways leads to explain the fate of hydrazine in the atmosphere. In this article, the comprehensive mechanisms and kine
Externí odkaz:
https://doaj.org/article/714515a5ad6149aebe8a116d7b0f12fe
Publikováno v:
Letters in Organic Chemistry. 17:884-889
For (Z)-(Z)-N-(λ5-phosphanylidene) formohydrazonic formic anhydride, Aza-Wittig reaction and Mumm rearrangement are studied using both density functional and coupled cluster theories. For this purpose, two different products starting from one substr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ec28af4993b1d8d0d2cfd3b1d6499ac2
https://doi.org/10.2174/1570178617666200224103813
https://doi.org/10.2174/1570178617666200224103813
Autor:
Hamed Douroudgari, Hamed Bahrami, Farshad Mirzaee Valadi, Manijeh Tozihi, Nasim Najafloo, Morteza Vahedpour
Publikováno v:
Journal of Mass Spectrometry. 57
The current research is constructed for considering the chemical ionization and dissociation of perindopril in the positive mode of corona discharge ion mobility spectrometry. Four product ion peaks are observed in the ion mobility spectrum of perind
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5d30e1770f9a9c27cb8a117807550877
https://doi.org/10.1002/jms.4814
https://doi.org/10.1002/jms.4814
Publikováno v:
Structural Chemistry. 31:411-421
Sulfinamides, as an asymmetric synthesizer, especially in drug synthesis, play critical roles in organic chemistry. In this study, the gas phase ion energetics data including the topical proton affinities, topical gas phase basicities, adiabatic and
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c3355f3d8bca8611bbfefd4bf1824a39
https://doi.org/10.1007/s11224-019-01401-1
https://doi.org/10.1007/s11224-019-01401-1
Publikováno v:
Scientific Reports
Scientific Reports, Vol 11, Iss 1, Pp 1-20 (2021)
Scientific Reports, Vol 11, Iss 1, Pp 1-20 (2021)
The reaction mechanisms and kinetics of thiophene oxidation reactions initiated by hydroperoxyl radical, and decomposition of the related intermediates and complexes, have been considered herein by using high-level DFT and ab initio calculations. The
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3371917936c43ad2bde1f1d46a98f7ba
http://europepmc.org/articles/PMC8219665
http://europepmc.org/articles/PMC8219665
Publikováno v:
Scientific Reports
Scientific Reports, Vol 10, Iss 1, Pp 1-20 (2020)
Scientific Reports, Vol 10, Iss 1, Pp 1-20 (2020)
For the CH3SH + OH atmospheric reaction, we study the mechanism, potential energy surface, thermodynamic parameters of all stationary points, and rate of generation of the main product channels at high, low, and intermediate pressures. In this study,
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::075e46b667d9132d433a526e71ac54f0
http://europepmc.org/articles/PMC7583294
http://europepmc.org/articles/PMC7583294