Jamjah, A., Kar, S. G., Rezaee, P., Ghotbi, M., Amini, S., Samouei, H., Mastrorilli, P., Todisco, S., Jamshidi, Z., & Jamali, S. (2024). Dynamic Motions of Ligands around the Metal Centers Afford a Fidget Spinner-Type AIE Luminogen. Inorganic Chemistry, 63(7), 3335–3347.
https://doi.org/10.1021/acs.inorgchem.3c03766
Dastjerdi, M. V., Sayahi, H., & Jamshidi, Z. (2024). Molecular mechanisms of asphaltene stabilization by 2,6-Di-tert-butylnaphthalene.Colloids and Surfaces. A, Physicochemical and Engineering Aspects, 681, 132714.
https://doi.org/10.1021/acs.inorgchem.3c03766
Jamshidi, Z., Kargar, K., Mendive-Tapia, D., & Vendrell, O. (2023). Coupling Molecular Systems with Plasmonic Nanocavities: A Quantum Dynamics Approach. the Journal of Physical Chemistry Letters, 14(50), 11367–11375.
https://doi.org/10.1021/acs.jpclett.3c02935
Shamsali, F., Solovyeva, E. V., Nasiri, N., & Jamshidi, Z. (2023). How is the Observation of High-Order Overtones and Combinations Elucidated by the Charge-Transfer Mechanism in SERS? the Journal of Physical Chemistry. A the Journal of Physical Chemistry. A., 127(50), 10583–10590.
https://doi.org/10.1021/acs.jpca.3c05956
Dastjerdi, M. V., Sayahi, H., Koochaki, A., & Jamshidi, Z. (2023). Asphaltene aggregation under the influence of structural features and interaction energies: Combination of quantum mechanical and molecular dynamics approaches.Colloids and Surfaces. A, Physicochemical and Engineering Aspects, 671, 131660.
https://doi.org/10.1016/j.colsurfa.2023.131660
Ashtari-Jafari, S., Jamshidi, Z., & Visscher, L. (2022). Efficient simulation of resonance Raman spectra with tight-binding approximations to density functional theory.Journal of Chemical Physics Online/the Journal of Chemical Physics/Journal of Chemical Physics, 157(8).
https://doi.org/10.1063/5.0107220
Solovyeva, E. V., & Jamshidi, Z. (2022). Observation of High-Order overtones and combinations in Surface-Enhanced Raman Scattering: the essential role in elucidation of the chemical mechanism.Journal of Physical Chemistry. C./Journal of Physical Chemistry. C, 126(29), 12038–12043.
https://doi.org/10.1021/acs.jpcc.2c01965
Jamshidi, Z., Asadi-Aghbolaghi, N., Morad, R., Mahmoudi, E., Sen, S., Maaza, M., & Visscher, L. (2022). Comparing the nature of quantum plasmonic excitations for closely spaced silver and gold dimers.Journal of Chemical Physics Online/the Journal of Chemical Physics/Journal of Chemical Physics, 156(7).
https://doi.org/10.1063/5.0079258
Hendi, Z., Jamali, S., Mahmoudi, S., Samouei, H., Nayeri, S., Chabok, S. M. J., & Jamshidi, Z. (2021). Metal–Organic Cubane Cage with Trimethylplatinum(IV) Vertices. Inorganic Chemistry, 61(1), 15–19.
https://doi.org/10.1021/acs.inorgchem.1c02803
Hendi, Z., Jamali, S., Chabok, S. M. J., Jamjah, A., Samouei, H., & Jamshidi, Z. (2021). Bis-N-Heterocyclic carbene complexes of coinage metals containing four naphthalimide units: A Structure–Emission Properties Relationship study. Inorganic Chemistry, 60(17), 12924–12933.
https://doi.org/10.1021/acs.inorgchem.1c01302
Jamshidi, Z., Ashtari-Jafari, S., Smirnov, A., & Solovyeva, E. V. (2021). Role of Herzberg–Teller Vibronic Coupling in Surface-Enhanced Resonance Raman Spectra of 4,4′-Diaminotolane with Nearly Close Molecular and Charge-Transfer Transitions. Journal of Physical Chemistry. C./Journal of Physical Chemistry. C, 125(31), 17202–17211.
https://doi.org/10.1021/acs.jpcc.1c04524
Ashtari-Jafari, S., & Jamshidi, Z. (2021). How do adsorbent orientation and direction of external electric field affect the Charge-Transfer Surface-Enhanced RAMAN spectra? Journal of Physical Chemistry. C./Journal of Physical Chemistry. C, 125(24), 13382–13390.
https://doi.org/10.1021/acs.jpcc.1c02319
Morad, R., Akbari, M., Rezaee, P., Koochaki, A., Maaza, M., & Jamshidi, Z. (2021). First principle simulation of coated hydroxychloroquine on Ag, Au and Pt nanoparticles. Scientific Reports, 11(1).
https://doi.org/10.1038/s41598-021-81617-6
Asadi-Aghbolaghi, N., Pototschnig, J., Jamshidi, Z., & Visscher, L. (2021). Effects of ligands on (de-)enhancement of plasmonic excitations of silver, gold and bimetallic nanoclusters: TD-DFT+TB calculations. Physical Chemistry Chemical Physics/PCCP. Physical Chemistry Chemical Physics, 23(33), 17929–17938.
https://doi.org/10.1039/d1cp03220h
Asadi-Aghbolaghi, N., Pototschnig, J., Jamshidi, Z., & Visscher, L. (2021). Effects of ligands on (de-)enhancement of plasmonic excitations of silver, gold and bimetallic nanoclusters: TD-DFT+TB calculations.Physical Chemistry Chemical Physics/PCCP. Physical Chemistry Chemical Physics, 23(33), 17929–17938.
https://doi.org/10.1039/d1cp03220h
Jamshidi, Z., Lushchikova, O. V., Bakker, J. M., & Visscher, L. (2020). Not completely innocent: How argon binding perturbs cationic Copper clusters. the Journal of Physical Chemistry. A/the Journal of Physical Chemistry. A., 124(43), 9004–9010.
https://doi.org/10.1021/acs.jpca.0c07771
Asadi-Aghbolaghi, N., Rüger, R., Jamshidi, Z., & Visscher, L. (2020). TD-DFT+TB: an efficient and fast approach for quantum plasmonic excitations.Journal of Physical Chemistry. C./Journal of Physical Chemistry. C, 124(14), 7946–7955.
https://doi.org/10.1021/acs.jpcc.0c00979
Sharafdini, R., Mohammadpour, M., Ramazani, S., & Jamshidi, Z. (2019). Theoretical simulation of surface‐enhanced resonance Raman spectroscopy of cytosine and its tautomers.Journal of Raman Spectroscopy, 51(1), 55–65.
https://doi.org/10.1002/jrs.5748
Lushchikova, O. V., Huitema, D. M. M., López-Tarifa, P., Visscher, L., Jamshidi, Z., & Bakker, J. M. (2019). Structures of Cun+ (n = 3–10) Clusters Obtained by Infrared Action Spectroscopy. T
he Journal of Physical Chemistry Letters, 10(9), 2151–2155.
https://doi.org/10.1021/acs.jpclett.9b00539
Khodabandeh, M. H., Asadi-Aghbolaghi, N., & Jamshidi, Z. (2019). Influence of Scalar-Relativistic and Spin–Orbit terms on the plasmonic properties of pure and Silver-Doped gold chains. Journal of Physical Chemistry. C./Journal of Physical Chemistry. C, 123(14), 9331–9342.
https://doi.org/10.1021/acs.jpcc.8b12045
Ashtari-Jafari, S., Khodabandeh, M. H., & Jamshidi, Z. (2019). Charge-transfer surface-enhanced resonance Raman spectra of benzene-like derivative compounds under the effect of an external electric field.Physical Chemistry Chemical Physics/PCCP. Physical Chemistry Chemical Physics, 21(43), 23996–24006.
https://doi.org/10.1039/c9cp05116c
Yasrebi, S., & Jamshidi, Z. (2017). Theoretical investigation of the weak interactions of rare gas atoms with silver clusters by resonance Raman spectroscopy modeling. International Journal of Quantum Chemistry, 117(15).
https://doi.org/10.1002/qua.25389
Zabardasti, A., Afrouzi, H., Kakanejadifard, A., & Jamshidi, Z. (2017). The S···P noncovalent interaction: diverse chalcogen bonds. Journal of Sulfur Chemistry, 38(3), 249–263.
https://doi.org/10.1080/17415993.2016.1275634
Mohammadpour, M., & Jamshidi, Z. (2017). Effect of chemical nature of the surface on the mechanism and selection rules of Charge-Transfer Surface-Enhanced Raman Scattering. Journal of Physical Chemistry. C./Journal of Physical Chemistry. C, 121(5), 2858–2871.
https://doi.org/10.1021/acs.jpcc.6b12069
Mohammadpour, M., Khodabandeh, M. H., Visscher, L., & Jamshidi, Z. (2017). Elucidation of charge-transfer SERS selection rules by considering the excited state properties and the role of electrode potential. Physical Chemistry Chemical Physics/PCCP. Physical Chemistry Chemical Physics, 19(11), 7833–7843.
https://doi.org/10.1039/c6cp07585a
Shakourian‐Fard, M., Jamshidi, Z., & Kamath, G. (2016). Surface Charge‐Transfer Doping of Graphene Nanoflakes Containing Double‐Vacancy (5‐8‐5) and Stone–Wales (55‐77) Defects through Molecular Adsorption. ChemPhysChem, 17(20), 3289–3299.
https://doi.org/10.1002/cphc.201600614
Kiawi, D. M., Chernyy, V., Oomens, J., Buma, W. J., Jamshidi, Z., Visscher, L., Waters, L. B. F. M., & Bakker, J. M. (2016). Water Dissociation upon Adsorption onto Free Iron Clusters Is Size Dependent. The Journal of Physical Chemistry Letters, 7(13), 2381–2387.
https://doi.org/10.1021/acs.jpclett.6b00891
Mohammadpour, M., & Jamshidi, Z. (2016b). Comparative assessment of density functional methods for evaluating essential parameters to simulate SERS spectra within the excited state energy gradient approximation. Journal of Chemical Physics Online/the Journal of Chemical Physics/Journal of Chemical Physics, 144(19).
https://doi.org/10.1063/1.4948813
Kiawi, D. M., Bakker, J. M., Oomens, J., Buma, W. J., Jamshidi, Z., Visscher, L., & Waters, L. B. F. M. (2015). Water adsorption on free Cobalt cluster cations. T
he Journal of Physical Chemistry. A/the Journal of Physical Chemistry. A., 119(44), 10828–10837.
https://doi.org/10.1021/acs.jpca.5b07119
Jamshidi, Z., Kaveei, E., & Mohammadpour, M. (2015). Investigation of the electronic excited states of small gold clusters in rare gas matrices: Spin–Orbit Time-Dependent density Functional Theory Calculation. The Journal of Physical Chemistry. A/the Journal of Physical Chemistry. A., 119(32), 8579–8587.
https://doi.org/10.1021/acs.jpca.5b03151
Shakourian-Fard, M., Jamshidi, Z., Bayat, A., & Kamath, G. (2015). Meta-Hybrid Density Functional Theory Study of adsorption of imidazolium- and Ammonium-Based ionic liquids on graphene sheet. Journal of Physical Chemistry. C./Journal of Physical Chemistry. C, 119(13), 7095–7108.
https://doi.org/10.1021/jp512020q
Behzadi, S., Ghasemi, F., Ghalkhani, M., Ashkarran, A. A., Akbari, S. M., Pakpour, S., Hormozi-Nezhad, M. R., Jamshidi, Z., Mirsadeghi, S., Dinarvand, R., Atyabi, F., & Mahmoudi, M. (2015). Determination of nanoparticles using UV-Vis spectra. Nanoscale, 7(12), 5134–5139.
https://doi.org/10.1039/c4nr00580e
Shakourian-Fard, M., Kamath, G., & Jamshidi, Z. (2014). Trends in physisorption of ionic liquids on Boron-Nitride sheets.Journal of Physical Chemistry. C./Journal of Physical Chemistry. C, 118(45), 26003–26016.
https://doi.org/10.1021/jp506277n
Azizi, E., Tehrani, Z. A., & Jamshidi, Z. (2014). Interactions of small gold clusters, Aun (n=1–3), with graphyne: Theoretical investigation. Journal of Molecular Graphics & Modelling/Journal of Molecular Graphics and Modelling, 54, 80–89.
https://doi.org/10.1016/j.jmgm.2014.09.004
Alizadeh, D., Jamshidi, Z., & Shayesteh, A. (2014). Potential energy curves for the ground and low-lying excited states of CuAg. Journal of Chemical Physics Online/the Journal of Chemical Physics/Journal of Chemical Physics, 141(15).
https://doi.org/10.1063/1.4897540
Tehrani, Z. A., & Jamshidi, Z. (2014). Watson–Crick versus imidazopyridopyrimidine base pairs: theoretical study on differences in stability and hydrogen bonding strength. Structural Chemistry, 25(4), 1271–1280.
https://doi.org/10.1007/s11224-014-0397-3
Jamali, S., Ghazfar, R., Lalinde, E., Jamshidi, Z., Samouei, H., Shahsavari, H. R., Moreno, M. T., Escudero-Adán, E., Benet-Buchholz, J., & Milic, D. (2014). Cyclometalated heteronuclear Pt/Ag and Pt/Tl complexes: a structural and photophysical study. Dalton Transactions, 43(3), 1105–1116.
https://doi.org/10.1039/c3dt52209a
Tehrani, Z. A., Jamshidi, Z., & Farhangian, H. (2013). Do coinage metal anions interact with substituted benzene derivatives? Journal of Molecular Modeling, 19(11), 4763–4772.
https://doi.org/10.1007/s00894-013-1965-y
Jamali, S., Ashtiani, M. M., Jamshidi, Z., Lalinde, E., Moreno, M. T., Samouei, H., Escudero-Adán, E., & Benet-Buchholz, J. (2013). A Highly Efficient Luminescent Pt2Tl2 Chain with a Short TlI–TlI Interaction. Inorganic Chemistry, 52(19), 10729–10731.
https://doi.org/10.1021/ic401890t
Shakourian-Fard, M., Jamshidi, Z., Bayat, A., & Fattahi, A. (2013). Structural and electronic properties of alkyl-trifluoroborate based ionic liquids: A theoretical study.Journal of Fluorine Chemistry, 153, 96–100.
https://doi.org/10.1016/j.jfluchem.2013.05.009
Jamshidi, Z., Eskandari, K., & Azami, S. M. (2013). Nature of closed‐ and open‐shell interactions between noble metals and rare gas atoms. International Journal of Quantum Chemistry, 113(16), 1981–1991.
https://doi.org/10.1002/qua.24427
Jamshidi, Z., Farhangian, H., & Tehrani, Z. A. (2012). Glucose interaction with Au, Ag, and Cu clusters: Theoretical investigation. International Journal of Quantum Chemistry, 113(8), 1062–1070.
https://doi.org/10.1002/qua.24122
Zabaradsti, A., Kakanejadifard, A., Ghasemian, M., & Jamshidi, Z. (2012). Theoretical study of molecular interactions of sulfur ylide with HF, HCN, and HN3. Structural Chemistry, 24(1), 271–277.
https://doi.org/10.1007/s11224-012-0072-5
Alizadeh, D., Jamshidi, Z., & Shayesteh, A. (2013). Spin–orbit and relativistic all-electron potential energy curves for the ground and low-lying excited states of AgAu. Physical Chemistry Chemical Physics/PCCP. Physical Chemistry Chemical Physics, 15(42), 18678.
https://doi.org/10.1039/c3cp52647j
Jamshidi, Z., Far, M. F., & Maghari, A. (2012). Binding of Noble Metal Clusters with Rare Gas Atoms: Theoretical Investigation. T
he Journal of Physical Chemistry. A/the Journal of Physical Chemistry. A., 116(51), 12510–12517.
https://doi.org/10.1021/jp3106474
Javan, M. J., Tehrani, Z. A., Fattahi, A., & Jamshidi, Z. (2012). Can anion interaction accelerate transformation of cytosine tautomers? Detailed view form QTAIM analysis. Structural Chemistry, 23(6), 1843–1855.
https://doi.org/10.1007/s11224-012-9993-2
Tehrani, Z. A., Jamshidi, Z., Javan, M. J., & Fattahi, A. (2012). Interactions of Glutathione Tripeptide with Gold Cluster: Influence of Intramolecular Hydrogen Bond on Complexation Behavior. T
he Journal of Physical Chemistry. A/the Journal of Physical Chemistry. A., 116(17), 4338–4347.
https://doi.org/10.1021/jp2080226
Shakourian‐Fard, M., Fattahi, A., & Jamshidi, Z. (2011). Interaction of cations with 2′‐deoxythymidine nucleoside and analysis of the nature and strength of cation bonds. Journal of Physical Organic Chemistry, 25(2), 153–161.
https://doi.org/10.1002/poc.1888
Javan, M. J., Jamshidi, Z., Tehrani, Z. A., & Fattahi, A. (2012). Interactions of coinage metal clusters with histidine and their effects on histidine acidity; theoretical investigation. Organic & Biomolecular Chemistry, 10(47), 9373.
https://doi.org/10.1039/c2ob25711d
Jamali, S., Czerwieniec, R., Kia, R., Jamshidi, Z., & Zabel, M. (2011). 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. Dalton Transactions, 40(36), 9123.
https://doi.org/10.1039/c1dt10834d
Pakiari, A. H., & Jamshidi, Z. (2010). Nature and strength of M−S bonds (M = AU, AG, and CU) in binary alloy gold clusters. The Journal of Physical Chemistry. A/the Journal of Physical Chemistry. A., 114(34), 9212–9221.
https://doi.org/10.1021/jp100423b
Mazzotti, F. J., Chauhan, R., Jamshidi, Z., Tulej, M., Radi, P. P., & Maier, J. P. (2008). The˜A2Π3/2−˜X2Π3/2electronic transition of HC4S isotopologues. Molecular Physics, 106(24), 2709–2715.
https://doi.org/10.1080/00268970802656984
Pakiari, A., & Jamshidi, Z. (2008). Interaction of Coinage Metal Clusters with Chalcogen Dihydrides. The Journal of Physical Chemistry. A/the Journal of Physical Chemistry. A., 112(34), 7969–7975.
https://doi.org/10.1021/jp804033w
Zeng, T., Jamshidi, Z., Mori, H., Miyoshi, E., & Klobukowski, M. (2007). Electron affinities of heavier phosphoryl and thiophosphoryl halides APX3 (A = O, S and X = Br, I). Journal of Computational Chemistry, 28(12), 2027–2033.
https://doi.org/10.1002/jcc.20726
Pakiari, A. H., & Jamshidi, Z. (2007). Interaction of Amino Acids with Gold and Silver Clusters. T
he Journal of Physical Chemistry. A/the Journal of Physical Chemistry. A., 111(20), 4391–4396.
https://doi.org/10.1021/jp070306t
Pakiari, A., & Jamshidi, Z. (2004). Intra-molecular dihydrogen bond in the amino acid.
Journal of Molecular Structure. Theochem, 685(1–3), 155–161.
https://doi.org/10.1016/j.theochem.2004.06.053
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