دکتر مريم دهستاني

انتشارات

مقاله های مجله

1. Mahdiyeh Poorsargol, Mahsa Alimohammadian, Beheshteh Sohrabi, Maryam Dehestani, Dispersion of graphene using surfactant mixtures: Experimental and molecular dynamics simulation studies

Applied Surface Science, 464, 440-450, 2019

2. M. Poorsargol, B. Sohrabi, M. Dehestani, Study of the Gemini Surfactants’ Self-Assembly on Graphene Nanosheets: Insights from Molecular Dynamic Simulation

The Journal of Physical Chemistry A, 122 (15), 3873-3885, 2018

3. Maryam Mansoori Kermani, Maryam Dehestani, Anharmonic 1D actuator model including electrostatic and Casimir forces with fractional damping perturbed by an external force

Acta Mechanica Sinica, 34, 3, 528-541, 2018

4. Majid Ghasemi-Kooch, Maryam Dehestani, Interaction of photosynthetic pigments with single-walled carbon nanotube (15, 15): a molecular dynamics study

Adsorption, 24, 43-51, 2018

5. B. Lashkari; M. Dehestani; A. Khosravan; M. Dehestani, Investigation of Molecular Selenium ‎Adsorption to the Outer Surface of Single ‎Wall Carbon Nanotubes

International Journal of Nanoscience and Nanotechnology, 13, 2, 129-137, 2017

6. L Zeidabadinejad, M Dehestani, S Pourestarabadi, On the chemical bonding features in palladium containing compounds: A combined QTAIM/DFT topological analysis

Journal of Structural Chemistry, 58, 3, 471-478, 2017

7. M Dehestani, L Zeidabadinejad, S Pourestarabadi, QTAIM investigations of decorated graphyne and boron nitride for Li detection

J. Serb. Chem. Soc., 82, 3, 289-301, 2017

8. Ehsan Faghih-Mirzaee, Maryam Dehestani, Leila Zeidabadinejad, Computational study on transfer of L-ascorbic acid by UlaA through Escherichia coli membrane

Journal of Bioinformatics and Computational Biology, 15, 1750007, 2017

9. Majid Ghasemi-Kooch, Maryam Dehestani, Mohammad Reza Housaindokht, Mohammad Reza Ghasemi-Kooch, Maryam Dehestani, Mohammad Reza Housaindokht, Bozorgmehr Majid, Oleuropein interactions with inner and outer surface of different types of carbon nanotubes: Insights from molecular dynamic simulation

Journal of Molecular Liquids, 241, 373-367, 2017

10. M. Dehestani, S. Pourestarabadi, L. Zeidabadinejad,, Quantum Chemical Investigation on the Structural and Electronic Properties of α, β and γ-cyclodextrin Complexes: DFT and QTAIM Analysis

Russian Journal of Physical Chemistry A, 90, 6, 1200–1207, 2016

11. Leila Zeidabadinejad and Maryam Dehestani, Effects of Displacement–Distortion of Potential Energy Surfaces on Nonadiabatic Electron Transfers via Conical Intersections: Application to SO2 and trans-1,3,5-Hexatriene

Journal of Physical Chemistry A, 120, 26, 4431-4446, 2016

12. M Dehestani, L Zeidabadinejad, S Pourestarabadi, Density Functional Theory Calculation on Improving the Photocatalytic Properties of Zinc Oxide and Cadmium Sulfide by Hybridization with Metal-Organic Framework

Journal of Advanced Materials in Engineering Esteghlal, 34, 4, 107-113, 2016

13. M. Dehestani, R. Naghizadeh, F. Shojaie, Theoretical investigation of Mechanism and Kinetics of the CH3NH2+O(3P) Reaction

Reaction, Progress in Reaction Kinetics and Mechanism, Progress in Reaction Kinetics and mechanism, 40, 3, 249-260, 2015

14. N. Mohaghegh, L. Zeidabadi, M. Tasviri, M. Dehestani, MR. Gholami, - ,A joint experimental and theoretical study on ZnO nanocomposities, synthesised by a liquid deposition method, progress in reaction kinetics and mechanism 4

Progress in Reaction Kinetics and Mechanism, 40, 3, 261-278, 2015

15. M. Dehestani, L. Zeidabadi, QTAIM investigation of bis(pyrazol-1-yl)methane derivative and its Zn(II) complexes (ZnLX2, X = Cl, Br or I)

Journal of the Serbian Chemical Society, 40, 1-15, 2015

16. L Zeidabadinejad, M Dehestani, A theoretical study of the structural, vibrational, and topological properties of charge distribution of the molecular complexes between furan and zeolites

Scientia Iranica. Transaction C, Chemistry, Chemical Engineering, 22, 6, 2262, 2015

17. M. Dehestani, R. Sharafdini, Analysis of the Photoelectron Spectra of Selenium Difluoride and Selenium Dichloride Based on Franck-Condon Factors

Spectroscopy Letters, 47, 657-663, 2014

18. M. Amiri , M. Eftekhari, M. Dehestani, A. Tajaddini, Modeling intermolecular potential of He–F2 dimer from symmetry-adapted perturbation theory using multi-gene genetic programming

Scientia Iranica, 20, 3, 543-548, 2013

19. L. Zeidabadinejad, M. Dehestani, "Theoretical study of the structureal, vibrational and topological properties of the charge distribution of the molecular molecular complexes between furan and zeolites

Scientia Iranica, 20, 3, 543-548, 2013

20. M. Dehestani, Z. Klantari,, The Calculation of vibrational energy levels of polyatomic molecules including anharmonic effect using contact transformation perturbation method

International Journal of Quantum Chemistry, 113, 1180-1191, 2013

21. M. Mansoori Kermani, M. Dehestani, Solving the nonlinear equations for one-dimensional nano-sized model including Rydberg and Varshni potentials and Casimir force using the decomposition method

Applied Mathematical Modeling, 37, 3399-3406, 2013

22. M. Dehestani, S. Shojaei, A. Khosravan, Theoretical investigation of electronic excitation transfer between chlorophylls in light-harvesting antenna of photosystem II using quantum computer

Quim Nova, 35, 1800-1805, 2013

23. F. Shojaie, M. Dehestani, Theoretical calculations of rate of NDMA formation from gramine

Canadian Journal of Chemistry, 91, 4, 275-282, 2013

24. M. Dehestani, F. Shojaie, Multichannel RRKM study on the mechanisms and kinetics for the CH3Cl +OH reaction

International Journal of Quantum Chemistry, 112, 1307-1315, 2011

25. F. Shojaie, M. Dehestani, Vibrational mode analysis for the multi-channel reaction of CH3Cl + OH

International Journal of Quantum Chemistry, 2011

26. M. Dehestani, M. Mansoori Kermani,, Theoretical investigation of absorption spectrum of SO2 molecule: Including S1–S2.

Computational and Theoretical Chemistry, 978, 1-6, 2011

27. M. Dehestani, E. Akbari, Absorption and resonance Raman spectroscopy of the 1Bu state of 1,3,5 trans hexatriene including vibronic coupling

Journal of Raman Spectroscopy, 42, 1640-1652, 2011

28. M. Dehestani, F. Shojaie, The simulation of virus life cycle with quantum gates

Computers in Biology and Medicine, 40, 359, 2010

29. M. Dehestani, Calculation of absorption and resonance Raman cross sections of ClO2 in the gas-phase and in solution: including Duschinsky effects

Journal of Raman Spectroscopy, 40, 696-702., 2009

30. Maryam Dehestani , Reza Islampour, The effects of Displacement, Distorted and Rotated Potentials Surfaces on Absorption and Resonance Raman Cross Sections of trans-Stilbene Molecule"

International of Journal Quantum Chemistry, 103, 119, 2005

31. M. Dehestani, F. Shojaie, Ab initio Calculations and Rate Constant for the reaction H+ H2

Asian J. Chem., 17, 1863, 2005

32. M. Dehestani, Density Matrix Method Application to Resonance Raman Scattering

Asian J. Chem., 16, 1093-1103, 2004

33. R. Islampour, M. Dehestani, S. H. Lin, Calculation of Resonance Raman Excitation Profiles'

Molecular Physics, 98, 101--110, 2000

34. R. Islampour, M. Dehestani, S. H. Lin, A New Expression for Multidimensional Franck-Condon Integrals

Journal of Molecular Spectroscopy, 194, 179-184, 1999

35. بتول السادات موسوی فرد، لیلا زیدآبادی نژاد، صدیقه پوراسترآبادی، مریم دهستانی, بررسی برهمکنش وانیلین با آلفا-، بتا- و گاما- سیکلودکسترین به‌عنوان حامل در سامانه‌های دارورسانی

مجله دانشکده پزشکی، دانشگاه علوم پزشکی تهران, 73, 872-877, 1394