Zobrazeno 1 - 10
of 77
pro vyhledávání: '"Morteza Vahedpour"'
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:
The Scientific World Journal, Vol 2014 (2014)
The mechanism of S+O4 (D2h) reaction has been investigated at the B3LYP/6-311+G(3df) and CCSD levels on the singlet potential energy surface. One stable complex has been found for the S+O4 (D2h) reaction, IN1, on the singlet potential energy surface.
Externí odkaz:
https://doaj.org/article/1c3fe7ab3a4d4620942f96606189c152
Publikováno v:
Journal of Chemistry, Vol 2013 (2013)
Ozone and hydrogen sulfide reaction mechanism including a complex was studied at the B3LYP/6-311++G(3df,3pd) and CCSD/6-311++G(3df,3pd)//B3LYP/6-311++G(3df,3pd) levels of computation. The interaction between sulfur atom of hydrogen sulfide and termin
Externí odkaz:
https://doaj.org/article/7ae8e0883f38409e9488bca82b11a9b4
Publikováno v:
Physical Chemistry Chemical Physics. 25:2830-2845
Nitric oxide (NO) and carbon monoxide (CO) are two important gasotransmitters with critical biological roles in the human body. Due to their short lifetime and dangerous side effects at high concentrations, it is essential to find safe storage and sl
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5aafa696680f38059991deaf14f9caa6
https://doi.org/10.1039/d2cp04725j
https://doi.org/10.1039/d2cp04725j
Autor:
Seyed Mohamad Mahdi DoustMohamadi, Morteza Vahedpour, Mohammad Hossein Rasoulifard, Azam Heidari
Publikováno v:
Water and Environment Journal. 37:154-165
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::493b8957b80839289bc93eb85dd11e54
https://doi.org/10.1111/wej.12826
https://doi.org/10.1111/wej.12826
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