Mostafa Abedi

Mostafa Abedi

Ph.d.-studerende

DTU KEMI
Institut for Kemi

Fysisk og Biofysisk Kemi: Teoretisk Computer Femtokemi Faculty

Danmarks Tekniske Universitet

Kemitorvet

Bygning 206, rum 226

2800 Kgs. Lyngby

Hjemmeside

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Publikationer
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2019
 

Excited-state solvation structure of transition metal complexes from molecular dynamics simulations and assessment of partial atomic charge methods

Abedi, Mostafa ; Levi, Gianluca ; Zederkof, Diana B. ; Henriksen, Niels E. ; Pápai, Mátyás ; Møller, Klaus B.
in: Physical Chemistry Chemical Physics, vol: 21, issue: 7, pages: 4082-4095

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2019     |    DOI: https://doi.org/10.1039/c8cp06567e

 

Mechanism of Photoinduced Dihydroazulene Ring-Opening Reaction

Abedi, Mostafa ; Pápai, Mátyás Imre ; Mikkelsen, Kurt V. ; Henriksen, Niels Engholm ; Møller, Klaus Braagaard
in: Journal of Physical Chemistry Letters, vol: 10, pages: 3944-3949

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2019     |    DOI: https://doi.org/10.1021/acs.jpclett.9b01522

 

Theoretical Evidence of Solvent-Mediated Excited-State Dynamics in a Functionalized Iron Sensitizer

Pápai, Mátyás Imre ; Abedi, Mostafa ; Levi, Gianluca ; Biasin, Elisa ; Nielsen, Martin Meedom ; Møller, Klaus Braagaard
in: Journal of Physical Chemistry C, vol: 123, issue: 4, pages: 2056-2065

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2019     |    DOI: https://doi.org/10.1021/acs.jpcc.8b10768

2015
 

Dissociation, absorption and ionization of some important sulfur oxoanions (S2On2- n = 2, 3, 4, 6, 7 and 8)

Abedi, Mostafa ; Farrokhpour, H. ; Farnia, S. ; Najafi Chermahini, A.
in: Journal of Molecular Structure: THEOCHEM, vol: 1093, pages: 125-134

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2015     |    DOI: https://doi.org/10.1016/j.molstruc.2015.03.021

2014
 

Prediction of acidity constants of some important selenium oxoacids in aqueous solution by computational techniques

Abedi, Mostafa ; Farrokhpour, Hossein ; Farnia, Solaleh
in: R S C Advances, vol: 4, issue: 10, pages: 5206-5212

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2014     |    DOI: https://doi.org/10.1039/c3ra47167e

2013
 

Acidity constants of some sulfur oxoacids in aqueous solution using CCSD and MP2 methods

Abedi, Mostafa ; Farrokhpour, Hossein
in: Dalton Transactions, vol: 42, issue: 15, pages: 5566-5572

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2013     |    DOI: https://doi.org/10.1039/c3dt33056g

 

Theoretical studies on the tautomerism of tetrazole selenone

Chermhini, Alireza Najafi ; Abedi, Mostafa ; Farrokhpour, Hossein ; Teimouri, Abbas ; Reisi, Bahareh
in: Journal of Molecular Modeling, vol: 19, issue: 10, pages: 4377-4386

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2013     |    DOI: https://doi.org/10.1007/s00894-013-1941-6

 

Theoretical study on the mechanism and kinetics of acetaldehyde and hydroperoxyl radical: An important atmospheric reaction

Farnia, Solaleh ; Vahedpour, Morteza ; Abedi, Mostafa ; Farrokhpour, Hossein
in: Chemical Physics Letters, vol: 583, pages: 190-197

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2013     |    DOI: https://doi.org/10.1016/j.cplett.2013.07.065

 

Theoretical study on the structures, stabilities and electronic properties of S2O52- isomers in the gas and solution phases

Abedi, Mostafa ; Vahedpour, Morteza ; Farnia, Solaleh ; Farrokhpour, Hossein
in: Molecular Physics, vol: 111, issue: 4, pages: 581-588

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2013     |    DOI: https://doi.org/10.1080/00268976.2012.737938