Zobrazeno 1 - 10
of 35
pro vyhledávání: '"Homayoon Bahrami"'
Autor:
Pezhman Mirmarghabi, Homayoon Bahrami
Publikováno v:
Journal of Porphyrins and Phthalocyanines. 26:203-221
The Mn(III)-oxophlorin complexes with imidazole, pyridine and t-butylcyanide as axial ligands have been studied using B3LYP, Bv86p, and M06-2X methods. All of the possible optimized geometries are specified, while the M06-2X is employed. Results obta
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d2c0650283510c3516e5337a34273696
https://doi.org/10.1142/s1088424622500043
https://doi.org/10.1142/s1088424622500043
Publikováno v:
Journal of Porphyrins and Phthalocyanines. 25:210-223
OH[Formula: see text] attack on a four, five and six-coordinated cobalt(II)-verdoheme-coordinated with imidazole (1 M) while the axial ligand was studied using B3LYP method. Different spin multiplicities were considered, namely doublet, quartet, and
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::61f08235d65ca01b9eb53cf7dbba9a5f
https://doi.org/10.1142/s1088424621500206
https://doi.org/10.1142/s1088424621500206
Publikováno v:
Structural Chemistry. 32:1219-1230
In this study, based on new designed and reported molecules with chemical formula of C13H13B2N, novel electrically and optically active oligomers with different size were suggested. It was shown that the suggested structures have no imaginary frequen
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7fb0b2f4d3bceda1d38d82f442d13cde
https://doi.org/10.1007/s11224-020-01684-9
https://doi.org/10.1007/s11224-020-01684-9
Publikováno v:
Journal of Inorganic and Organometallic Polymers and Materials. 30:4160-4169
In this research, it is tried to improve electrical, optical, and non-linear optical (NLO) properties of boron-dipyrromethene (BODIPY) as a very optically active molecule. The results showed that two analogs of BODIPY, i.e., the AlDIPY and GaDIPY, ha
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ecba0c7351fb1e4f9b0a58ba11d119d8
https://doi.org/10.1007/s10904-020-01568-9
https://doi.org/10.1007/s10904-020-01568-9
Publikováno v:
Journal of molecular modeling. 26(11)
In this research, the BODIPY molecule was selected; and based on its structure, using a different number of BODIPY molecules connected to each other, novel oligomers with significant electrical and optical properties were designed. After structural o
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::760b18f6408fd5dcd5443021d4d3d8dd
https://pubmed.ncbi.nlm.nih.gov/33078288
https://pubmed.ncbi.nlm.nih.gov/33078288
Autor:
Mehdi D. Davari, Homayoon Bahrami, Gholamreza Jaferian, Ali Akbar Moosavi-Movahedi, Mansour Zahedi
Publikováno v:
International Journal of Chemical Kinetics. 48:647-659
The kinetics of the permanganic oxidation process of some straight chain amino acids in moderately concentrated sulfuric acid medium have been investigated using a spectrophotometric technique. Conclusive evidences have proven autocatalytic activity
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::95eab3832582210b6fc176f824fa282e
https://doi.org/10.1002/kin.21014
https://doi.org/10.1002/kin.21014
Autor:
Homayoon Bahrami, Mansour Zahedi
Publikováno v:
Journal of the Iranian Chemical Society. 12:1973-1982
Two molecular dynamics simulations of the protein ADH in solution at room temperature have been carried out, one in the presence (about 0.1 M) and one in the absence of sucrose. The results show that the sucrose molecules cluster and move toward the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4563539b281a60fe7174de4194391ed0
https://doi.org/10.1007/s13738-015-0671-3
https://doi.org/10.1007/s13738-015-0671-3
Publikováno v:
Journal of molecular modeling. 22(7)
The chelating properties of diethanoldithiocarbamate (DEDC) and π-electron flow from the nitrogen atom to the sulfur atom via a plane-delocalized π-orbital system (quasi ring) was studied using a density functional theory method. The molecular stru
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5a2c421ee06381c763300f9187317805
https://pubmed.ncbi.nlm.nih.gov/27299888
https://pubmed.ncbi.nlm.nih.gov/27299888
Autor:
Ali Akbar Moosavi-Movahedi, Mansour Zahedi, Mehdi D. Davari, Homayoon Bahrami, Moghadas Bigdeli
Publikováno v:
Progress in Reaction Kinetics and Mechanism. 36:120-138
The reaction kinetics and mechanism of the permanganate ion oxidation of L-y-amino-butyric acid (GABA) in moderately concentrated sulfuric acid medium has been investigated spectrophotometrically.The product of this reaction is 2-pyrrolidone, which i
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ac95fde188a6b31620803bb5b85f2ad4
https://doi.org/10.3184/146867810x12925913885141
https://doi.org/10.3184/146867810x12925913885141
Publikováno v:
Progress in Reaction Kinetics and Mechanism. 36:95-119
The kinetics and mechanism of the KMn04-oxidative catalysed condensation reaction of L-proline, as a cyclic secondary amino acid, has been investigated spectrophotometrically. Product analysis has revealed, that in contrast to the usual reaction of
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::6fc2cb85246b6b13fa4b3df2d327bfc4
https://doi.org/10.3184/146867810x12894108189486
https://doi.org/10.3184/146867810x12894108189486