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Mohammad Khavani
标题
引用次数
年份
19th Iranian Physical Chemistry Conference
A Mehranfar, M Izadyar, M Khavani
J. Phys. Chem. A 117, 2427, 2013
2013
19th Iranian Physical Chemistry Conference
M Khavani, M Izadyar, A Mehranfar, M Reza
A combined MD/QM study on the sensing mechanism of Pb2+ by glutathione functionalized gold nanoparticles
M Khavani, M Izadyar, MR Housaindokht
Journal of Molecular Liquids 280, 120-127, 2019
132019
A combined molecular dynamic and quantum mechanic study of the solvent and guest molecule effect on the stability and length of heterocyclic peptide nanotubes
M Izadyar, M Khavani, MR Housaindokht
Physical Chemistry Chemical Physics 17 (17), 11382-11391, 2015
332015
A combined molecular dynamics and quantum mechanics study on the interaction of Fe3+ and human serum albumin relevant to iron overload disease
S Kaviani, M Izadyar, M Khavani, MR Housaindokht
Journal of Molecular Liquids 317, 113933, 2020
112020
A comprehensive study of the solvent effects on the cycloaddition reaction of diethyl azodicarboxylate and ethyl vinyl ether: Efficient implementation of QM and TD‐DFT study
M Khavani, M Izadyar
International Journal of Quantum Chemistry 115 (6), 381-388, 2015
102015
A DFT study of solvent effects on the kinetics and mechanism of the [3, 3] hetero-Cope rearrangement of 1-butene thiobenzoate
M Khavani, M Izadyar, M Rezaeian
Progress in Reaction Kinetics and Mechanism 41 (2), 153-158, 2016
42016
A DFT study on the kinetics and mechanism of cyclodiglycine thermal decomposition in the gas phase
M Khavani, M Izadyar, A Mehranfar
Progress in Reaction Kinetics and Mechanism 41 (2), 205-213, 2016
62016
A DFT Study on the Kinetics of the Thermal Decomposition of Formaldehyde Diperoxide
M Khavani, M Izadyar
17th Iranian Physical Chemistry Conference, 2014
2014
A DFT Study on the Thermodynamics Properties of new Oxidative Salt of 1, 1/-(Ethane-1, 2-diyl) dipyridinium dichromate (VI)
M Izadyar, M Khavani, M Gholizadeh
The 16th Iranian physical Chemistry Coference, 2013
2013
A facile access to highly functionalized triphenylphosphoranylidene succinimides through a three-component reaction and DFT investigation of the reaction mechanism
AA Esmaeili, H Khoddam-Mohammadi, A Moradi, E Davamdar, M Izadyar, ...
RSC Advances 4 (71), 37900-37907, 2014
62014
A Joint Experimental and Theoretical Study on the Synthesis and Structure of the new Oxidative salt of Triphenyl [2-(triphenylphosphaniumyl) ethyl] phosphanium bis (periodate)
M Izadyar, M Gholizadeh, M Khavani
20th Seminar of Organic Chemistry, 2013
2013
A joint QM/MD study on α-, β-and γ-cyclodextrins in selective complexation with cathinone
M Khavani, R Kalantarinezhad, M Izadyar
Supramolecular Chemistry 30 (8), 687-696, 2018
152018
A molecular approach on the ability of functionalized gold nanoparticles for selective sensing of Hg2+
M Khavani, M Izadyar, MR Housaindokht
Journal of Molecular Liquids 292, 111461, 2019
32019
A molecular dynamic study on the ability of phosphorene for designing new sensor for SARS-CoV-2 detection
A Mehranfar, M Khavani, M Izadyar
Journal of Molecular Liquids 345, 117852, 2022
162022
A new electrochemical aptasensor based on MWCNT-SiO2@ Au core-shell nanocomposite for ultrasensitive detection of bisphenol A
I Razavipanah, GH Rounaghi, B Deiminiat, S Damirchi, K Abnous, ...
Microchemical Journal 146, 1054-1063, 2019
362019
A theoretical approach on the ability of functionalized gold nanoparticles for detection of Cd2+
M Khavani, A Mehranfar, M Izadyar
Scientific Reports 11 (1), 23422, 2021
72021
A THEORETICAL OVERVIEW ON THE RATE OF DIMERIZATION OF CYCLOPENTADIENE
A Mehranfar, M Izadyar, M Khavani Sariani
19th Iranian Physical Chemistry Conference, 2016
2016
A Theoretical Study on the Solvent Effects in pericyclic Reactions Part I: 3, 4-Dimethyl-2, 5-dihydrothiophen-1, 1-dioxide
M Izadyar, M Gholizadeh, M Khavani
15th Iranian Physical Chemistry Conference, 2012
2012
Adsorption Process of Various Antimicrobial Peptides on Different Surfaces of Cellulose
A Mehranfar, M Khavani, MRK Mofrad
ACS Applied Bio Materials 6 (3), 1041-1053, 2023
12023
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