DFT, TD-DFT, QTAIM and NBO investigations of the interaction between sulfur mustard and metal porphyrins induced in carbon nanocone (M-PCNC, M = Fe2+ and Mg2+).
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| Title: | DFT, TD-DFT, QTAIM and NBO investigations of the interaction between sulfur mustard and metal porphyrins induced in carbon nanocone (M-PCNC, M = Fe2+ and Mg2+). |
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| Authors: | Vessally, Esmail1 (AUTHOR), Azizi, Bayan2 (AUTHOR), Husam Aziz, Qusay3 (AUTHOR), Al-Shami, Karrar R.4 (AUTHOR), Tariq, Hayder5 (AUTHOR), Behmagham, Farnaz6 (AUTHOR), Khanmohammadi, Azadeh1 (AUTHOR) az_khanmohammadi@yahoo.com |
| Source: | Journal of Sulfur Chemistry. Apr2025, Vol. 46 Issue 2, p291-311. 21p. |
| Database: | Academic Search Ultimate |
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| FullText | Links: – Type: pdflink Text: Availability: 1 |
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| Header | DbId: asn DbLabel: Academic Search Ultimate An: 183580429 AccessLevel: 2 PubType: Academic Journal PubTypeId: academicJournal PreciseRelevancyScore: 0 |
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| Items | – Name: Title Label: Title Group: Ti Data: DFT, TD-DFT, QTAIM and NBO investigations of the interaction between sulfur mustard and metal porphyrins induced in carbon nanocone (M-PCNC, M = Fe<superscript>2+</superscript> and Mg<superscript>2+</superscript>). – Name: Author Label: Authors Group: Au Data: <searchLink fieldCode="AR" term="%22Vessally%2C+Esmail%22">Vessally, Esmail</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Azizi%2C+Bayan%22">Azizi, Bayan</searchLink><relatesTo>2</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Husam+Aziz%2C+Qusay%22">Husam Aziz, Qusay</searchLink><relatesTo>3</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Al-Shami%2C+Karrar+R%2E%22">Al-Shami, Karrar R.</searchLink><relatesTo>4</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Tariq%2C+Hayder%22">Tariq, Hayder</searchLink><relatesTo>5</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Behmagham%2C+Farnaz%22">Behmagham, Farnaz</searchLink><relatesTo>6</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Khanmohammadi%2C+Azadeh%22">Khanmohammadi, Azadeh</searchLink><relatesTo>1</relatesTo> (AUTHOR)<i> az_khanmohammadi@yahoo.com</i> – Name: TitleSource Label: Source Group: Src Data: <searchLink fieldCode="JN" term="%22Journal+of+Sulfur+Chemistry%22">Journal of Sulfur Chemistry</searchLink>. Apr2025, Vol. 46 Issue 2, p291-311. 21p. |
| PLink | https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=asn&AN=183580429 |
| RecordInfo | BibRecord: BibEntity: Identifiers: – Type: doi Value: 10.1080/17415993.2025.2457347 Languages: – Code: eng Text: English PhysicalDescription: Pagination: PageCount: 21 StartPage: 291 Titles: – TitleFull: DFT, TD-DFT, QTAIM and NBO investigations of the interaction between sulfur mustard and metal porphyrins induced in carbon nanocone (M-PCNC, M = Fe2+ and Mg2+). Type: main BibRelationships: HasContributorRelationships: – PersonEntity: Name: NameFull: Vessally, Esmail – PersonEntity: Name: NameFull: Azizi, Bayan – PersonEntity: Name: NameFull: Husam Aziz, Qusay – PersonEntity: Name: NameFull: Al-Shami, Karrar R. – PersonEntity: Name: NameFull: Tariq, Hayder – PersonEntity: Name: NameFull: Behmagham, Farnaz – PersonEntity: Name: NameFull: Khanmohammadi, Azadeh IsPartOfRelationships: – BibEntity: Dates: – D: 01 M: 04 Text: Apr2025 Type: published Y: 2025 Identifiers: – Type: issn-print Value: 17415993 Numbering: – Type: volume Value: 46 – Type: issue Value: 2 Titles: – TitleFull: Journal of Sulfur Chemistry Type: main |
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