Vessally E - Search Results

1

Investigation of fused remote N-heterocyclic silylenes (frNHSis), at DFT.

Vessally E, Ebadi AG, Heravi MRP, Habibzadeh S, Rostami Z. Vessally E, et al. J Mol Model. 2021 Sep 24;27(10):299. doi: 10.1007/s00894-021-04899-7. J Mol Model. 2021. PMID: 34559315

2

Selective detection of cyanogen halides by BN nanocluster: a DFT study.

Vessally E, Behmagham F, Massuomi B, Hosseinian A, Nejati K. Vessally E, et al. J Mol Model. 2017 Apr;23(4):138. doi: 10.1007/s00894-017-3312-1. Epub 2017 Mar 29. J Mol Model. 2017. PMID: 28357691 Free PMC article.

3

A DFT study on graphene, SiC, BN, and AlN nanosheets as anodes in Na-ion batteries.

Hosseinian A, Khosroshahi ES, Nejati K, Edjlali E, Vessally E. Hosseinian A, et al. Among authors: vessally e. J Mol Model. 2017 Nov 25;23(12):354. doi: 10.1007/s00894-017-3527-1. J Mol Model. 2017. PMID: 29177629

4

Cavity-trapped electrons: lithium doped tetracyano-2,6-naphthoquinodimethane (TNAP) systems.

Vessally E, Majedi S, Hosseinian A, Bekhradnia A. Vessally E, et al. J Mol Model. 2020 May 7;26(6):118. doi: 10.1007/s00894-020-04384-7. J Mol Model. 2020. PMID: 32383102

5

Hexa-cata-hexabenzocoronene nanographene as a promising anode material for Mg-ion batteries.

Hashemzadeh B, Edjlali L, Kheirollahi Nezhad PD, Vessally E. Hashemzadeh B, et al. Among authors: vessally e. J Mol Model. 2021 Jan 23;27(2):45. doi: 10.1007/s00894-021-04675-7. J Mol Model. 2021. PMID: 33484343

6

Substitution effects via aromaticity, polarizability, APT, AIM, IR analysis, and hydrogen adsorption in C_20-nTi_n nanostructures: a DFT survey.

Cao Y, Ebadi AG, Rahmani Z, Heravi MRP, Vessally E. Cao Y, et al. Among authors: vessally e. J Mol Model. 2021 Nov 8;27(12):348. doi: 10.1007/s00894-021-04943-6. J Mol Model. 2021. PMID: 34748105

7

Density functional theory studies on C₂₀ with substitutional Ti_nN_n impurities.

Cao Y, Ebadi AG, Rahmani Z, Heravi MRP, Vessally E. Cao Y, et al. Among authors: vessally e. J Mol Model. 2022 Feb 18;28(3):62. doi: 10.1007/s00894-022-05050-w. J Mol Model. 2022. PMID: 35181826

8

Hydroxysulfonylation of alkenes: an update.

Hossaini Z, Mahmood EA, Poor Heravi MR, Ebadi AG, Vessally E. Hossaini Z, et al. Among authors: vessally e. RSC Adv. 2021 Jun 18;11(35):21651-21665. doi: 10.1039/d1ra00513h. eCollection 2021 Jun 15. RSC Adv. 2021. PMID: 35478812 Free PMC article. Review.

9

Progress and recent trends in the direct selenocyanation of (hetero)aromatic C-H bonds.

Hassanpour A, Ghavidelaghdam E, Ebadi AG, Poor Heravi MR, Vessally E. Hassanpour A, et al. Among authors: vessally e. RSC Adv. 2021 Jun 24;11(36):22305-22316. doi: 10.1039/d1ra01035b. eCollection 2021 Jun 21. RSC Adv. 2021. PMID: 35480846 Free PMC article. Review.

10

Recent trends in dehydroxylative trifluoro-methylation, -methoxylation, -methylthiolation, and -methylselenylation of alcohols.

Cao Y, Ahmadi R, Poor Heravi MR, Issakhov A, Ebadi AG, Vessally E. Cao Y, et al. Among authors: vessally e. RSC Adv. 2021 Dec 13;11(62):39593-39606. doi: 10.1039/d1ra05018d. eCollection 2021 Dec 6. RSC Adv. 2021. PMID: 35492477 Free PMC article. Review.

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