1. Theoretical investigation of the weak interactions of rare gas atoms with silver clusters by resonance Raman spectroscopy modeling
    S Yasrebi, Z Jamshidi
    International Journal of Quantum Chemistry

  2. Elucidation of charge-transfer SERS selection rules by considering the excited state properties and the role of electrode potential
    Mozhdeh Mohammadpour, Mohammad Hassan Khodabandeh, Lucas Visscher and Zahra Jamshidi*
    Physical Chemistry Chemical Physics 19 (11), 7833-7843

  3. Effect of Chemical Nature of the Surface on the Mechanism and Selection Rules of Charge-Transfer Surface-Enhanced Raman Scattering
    Mozhdeh Mohammadpour and Zahra Jamshidi*
    The Journal of Physical Chemistry C 121 (5), 2858-2871


  4. The S···P noncovalent interaction: diverse chalcogen bonds
    Abedien Zabardasti, Hossein Afrouzi, Ali Kakanejadifard and Zahra Jamshidi
    Journal of Sulfur Chemistry, 1-15



  1. Comparative assessment of density functional methods for evaluating essential parameters to simulate SERS spectra within the excited state energy gradient approximation
    Mozhdeh Mohammadpour and Zahra Jamshidi
    The Journal of chemical physics 144 (19), 194302


  2. Surface Charge-Transfer Doping of Graphene Nanoflakes Containing Double-Vacancy (5-8-5) and Stone Wales (55-77) Defects through Molecular Adsorption
    Mehdi Shakourian-Fard*, Zahra Jamshidi* and Ganesh Kamath
    ChemPhysChem 17 (20), 3289-3299

  3. Water Dissociation upon Adsorption onto Free Iron Clusters Is Size Dependent

    Denis M. Kiawi,  Valeriy Chernyy, Jos Oomens, Wybren Jan Buma,  Zahra Jamshidi, Lucas Visscher, L. B. F. M. Waters and Joost M. Bakker
    The journal of physical chemistry letters 7 (13), 2381-2387



  1. Water Adsorption of Free Cobalt Cluster Cations
    Denis M Kiawi, Joost M Bakker, Jos Oomens, Wybren Jan Buma, Zahra Jamshidi, Lucas Visscher, LBFM Waters
    The Journal of Physical Chemistry A 119 (44), 10828–10837


  2. Investigation of the Electronic Excited States of Small Gold Clusters in Rare Gas Matrices: Spin–Orbit Time-Dependent Density Functional Theory Calculation

    Zahra Jamshidi, Elham Kaveei, and Mozhdeh Mohammadpour

    The Journal of Physical Chemistry A 119 (32), 8579–8587



  3. Meta-Hybrid Density Functional Theory Study of Adsorption of Imidazolium-and Ammonium-Based Ionic Liquids on Graphene Sheet
    M Shakourian-Fard, Z Jamshidi, A Bayat, G Kamath
    The Journal of Physical Chemistry C 119 (13), 7095-7108


  4. Determination of nanoparticles using UV-Vis spectra

    S Behzadi, F Ghasemi, M Ghalkhani, AA Ashkarran, SM Akbari

    Nanoscale 7 (12), 5134-5139




  1. Interactions of small gold clusters, Au n (n= 1–3), with graphyne: Theoretical investigation

    E Azizi, ZA Tehrani, Z Jamshidi

    Journal of Molecular Graphics and Modelling 54, 80-89


  2. Trends in Physisorption of Ionic Liquids on Boron-Nitride Sheets

    M Shakourian-Fard, G Kamath, Z Jamshidi

    The Journal of Physical Chemistry C 118 (45), 26003-26016


  3. Potential energy curves for the ground and low-lying excited states of CuAg

    D Alizadeh, Z Jamshidi*, A Shayesteh

    The Journal of Chemical Physics 141 (15), 154301



  4. Watson–Crick versus imidazopyridopyrimidine base pairs: theoretical study on differences in stability and hydrogen bonding strength

    ZA Tehrani, Z Jamshidi

    Structural Chemistry 25 (4), 1271-1280

  5. Cyclometalated heteronuclear Pt/Ag and Pt/Tl complexes: a structural and photophysical study

    S Jamali, R Ghazfar, E Lalinde, Z Jamshidi, H Samouei, HR Shahsavari, ...

    Dalton Transactions 43 (3), 1105-1116



  1. Do coinage metal anions interact with substituted benzene derivatives?

    ZA Tehrani, Z Jamshidi*, H Farhangian

    Journal of Molecular Modeling 19 (11), 4763-4772

  2. Structural and electronic properties of alkyl-trifluoroborate based ionic liquids: A theoretical study

    M Shakourian-Fard, Z Jamshidi, A Bayat, A Fattahi

    Journal of Fluorine Chemistry 153, 96-100.


  3. A Highly Efficient Luminescent Pt2Tl2 Chain with a Short TlI–TlI Interaction

    S Jamali, MM Ashtiani, Z Jamshidi, E Lalinde, MT Moreno, H Samouei, ...

    Inorganic Chemistry 52 (19), 10729-10731



  4. Nature of closed‐and open‐shell interactions between noble metals and rare gas atoms

    Z Jamshidi*, K Eskandari, SM Azami

    International Journal of Quantum Chemistry 113 (16), 1981-1991



  5. Glucose interaction with Au, Ag, and Cu clusters: Theoretical investigation

    Z Jamshidi*, H Farhangian, ZA Tehrani

    International Journal of Quantum Chemistry 113 (8), 1062-1070.



  6. Theoretical study of molecular interactions of sulfur ylide with HF, HCN, and HN3

    A Zabaradsti, A Kakanejadifard, M Ghasemian, Z Jamshidi

    Structural Chemistry 24 (1), 271-277.

  7. Spin–orbit and relativistic all-electron potential energy curves for the ground and low-lying excited states of AgAu

    D Alizadeh, Z Jamshidi,* A Shayesteh

    Physical Chemistry Chemical Physics 15 (42), 18678-18687.




  1. Binding of Noble Metal Clusters with Rare Gas Atoms: Theoretical Investigation

    Z Jamshidi*,  MF Far, A Maghari

    The Journal of Physical Chemistry A 116 (51), 12510-12517.


  2. Can anion interaction accelerate transformation of cytosine tautomers? Detailed view form QTAIM analysis

    MJ Javan, ZA Tehrani, A Fattahi, Z Jamshidi

    Structural Chemistry 23 (6), 1843-1855.
  3. Interactions of Glutathione Tripeptide with Gold Cluster: Influence of Intramolecular Hydrogen Bond on Complexation Behavior

    Z Aliakbar Tehrani, Z Jamshidi*, M Jebeli Javan, A Fattahi

    The Journal of Physical Chemistry A 116 (17), 4338-4347.


  4. Interaction of cations with 2′‐deoxythymidine nucleoside and analysis of the nature and strength of cation bonds

    M Shakourian‐Fard, A Fattahi, Z Jamshidi

    Journal of Physical Organic Chemistry 25 (2), 153.

  5. Interactions of coinage metal clusters with histidine and their effects on histidine acidity; theoretical investigation

    MJ Javan, Z Jamshidi*, ZA Tehrani, A Fattahi

    Organic & biomolecular chemistry 10 (47), 9373-9382.




  1. Synthesis, structure and photophysical properties of binuclear methylplatinum complexes containing cyclometalating 2-phenylpyridine or benzo {h} quinoline ligands: a comparison of intramolecular Pt–Pt and π–π interactions

    S Jamali, R Czerwieniec, R Kia, Z Jamshidi, M Zabel

    Dalton Transactions 40 (36), 9123-9130.




  1. Nature and strength of M− S Bonds (M= Au, Ag, and Cu) in binary alloy gold clusters

    AH Pakiari, Z Jamshidi

    The Journal of Physical Chemistry A 114 (34), 9212-9221.




  1. Interaction of coinage metal clusters with chalcogen dihydrides

    AH Pakiari, Z Jamshidi

    The Journal of Physical Chemistry A 112 (34), 7969-7975.



  1. Electron affinities of heavier phosphoryl and thiophosphoryl halides APX3 (A= O, S and X= Br, I)

    T Zeng, Z Jamshidi, H Mori, E Miyoshi, M Klobukowski

    Journal of Computational Chemistry 28 (12), 2027-2033.


  2. Interaction of amino acids with gold and silver clusters

    AH Pakiari, Z Jamshidi

    The Journal of Physical Chemistry A 111 (20), 4391-4396.


  3. Intra-molecular dihydrogen bond in the amino acid

    AH Pakiari, Z Jamshidi

    Journal of Molecular Structure: THEOCHEM 685 (1), 155-161