Functional group effect of isoreticular metal–organic frameworks on heavy metal ion adsorption von Esrafili, Leili, Safarifard, Vahid, Tahmasebi, Elham, Esrafili, M. D., Morsali, Ali

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A mechanistic first-principles study on N2 reduction reaction catalyzed by Ni4 supported defective graphene von Saeidi, N., Esrafili, M.D., Sardroodi, J.J.

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A mechanistic first-principles study on N 2 reduction reaction catalyzed by Ni 4 supported defective graphene von Saeidi, N, Esrafili, M D, Sardroodi, J J

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A DFT study on the central-ring doped HBC nanographenes von Hosseinian, A., Bekhradnia, A., Vessally, E., Edjlali, L., Esrafili, M.D.

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Theoretical insights into oxygen reduction reaction catalyzed by phosphorus-doped divacancy C3N nanosheet von Mohammadi-rad, N., Sardroodi, J.J., Esrafili, M.D.

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pH-sensitive organic diimide materials-based superhydrophobic surface for oil-water separation applications von Khanmohammadi Chenab, K, Sohrabi, B, Esrafili, M

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Experimental and theoretical study on diethyl-(Z)-2-(5,7-diphenyl-1,3,4-oxadiazepin-2-yl)-2-butenedioate using different levels of computational methods von Asadi, Z., Asnaashariisfahani, M.B., Vessally, E., Esrafili, M.D.

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Chloropicrin sensor based on the pristine BN nanocones: DFT studies von Vessally, E., Moladoust, R., Mousavi-Khoshdel, S. M., Esrafili, M. D., Hosseinian, A., Edjlali, L.

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The ClCN adsorption on the pristine and Al-doped boron nitride nanosheet, nanocage, and nanocone: Density functional studies von Vessally, E., Moladoust, R., Mousavi-Khoshdel, S.M., Esrafili, M.D., Hosseinian, A., Edjlali, L.

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Pristine and Ti- or Al-doped B3CN4 nanosheets as efficient anodes for Mg-ion batteries: A DFT study von Heidari, S., Esrafili, M.D., Sardroodi, J.J.

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DFT calculation and experimental study of nitrogen-doped carbon nanotube nanocomposite in As+3 toxic ions removal von Meshkat, S. S., Hoseinzadeh, S., Hosseini-dastgerdi, Z., Mehrabi, R., Ghasemy, E., Esrafili, M.

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Functional group effect of isoreticular metal-organic frameworks on heavy metal ion adsorptionElectronic supplementary information (ESI) available. See DOI: 10.1039/c8nj01150h von Esrafili, Leili, Safarifard, Vahid, Tahmasebi, Elham, Esrafili, M. D, Morsali, Ali

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A theoretical study on the C30X15Y15 (X=B, and Al; Y=N, and P) heterofullerenes von Hosseinian, A., Bekhradnia, A., Vessally, E., Edjlali, L., Esrafili, M.D.

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Triphenyltin( iv ) adducts of diphosphoryl ligands: structural, electronic and energy aspects from X-ray crystallography and theoretical calculations von Gholivand, K., Gholami, A., Ebrahimi, A. A. V., Abolghasemi, S. T., Esrafili, M. D., Fadaei, F. T., Schenk, K. J.

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Triphenyltin(iv) adducts of diphosphoryl ligands: structural, electronic and energy aspects from X-ray crystallography and theoretical calculationsElectronic supplementary informat... von Gholivand, K, Gholami, A, Ebrahimi, A. A. V, Abolghasemi, S. T, Esrafili, M. D, Fadaei, F. T, Schenk, K. J

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Structures and bonding patterns of nanoannular carbon clusters (C4–C20) through AIM analyses von Kassaee, M. Z., Musavi, S. M., Akhavan, A., Esrafili, M. D.

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Benzene-Toluene-Xylene (BTX) Removal from Polluted Airflow by Combined Filter of Zero Valence Iron and Copper oxide Nanoparticles on Iranian Amended Clinoptilolite Bed von Rostami R, Jonidi Jafari A, Rezaei Kalantari R, Gholami M, Esrafili A

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Application of solvent-assisted dispersive solid phase extraction as a new, fast, simple and reliable preconcentration and trace detection of lead and cadmium ions in fruit and wat... von Behbahani, Mohammad, Ghareh Hassanlou, Parmoon, Amini, Mostafa M, Omidi, Fariborz, Esrafili, Ali, Farzadkia, Mehdi, Bagheri, Akbar

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Using mesoporous metal–organic frameworks to immobilize hydrogen-bond donating (HBD) organocatalysts von Esrafili, L., Vande Velde, C. M. L.

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In Situ Study of the Activation Process of MOF-74 Using Three-Dimensional Electron Diffraction von Quintelier, Matthias, Hajizadeh, Amirhossein, Zintler, Alexander, Gonçalves, Bruna F., Fernández de Luis, Roberto, Esrafili Dizaji, Leili, Vande Velde, Christophe M. L., Wuttke, Stefan, Hadermann, Joke

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