Ligand-dependent electronic structure, bonding, and optical properties of M(L)(CO)2 complexes (L = acac, Cp, Cp; M = Fe, Co, Ni, Ru, Rh, Pd, Os, Ir, Pt): a systematic DFT/TD-DFT study.
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| Title: | Ligand-dependent electronic structure, bonding, and optical properties of M(L)(CO) |
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| Authors: | Thomas R; Department of Chemistry, St Berchmans College (Autonomous), Changanassery, Kerala, India-686101. renjith@sbcollege.ac.in.; Centre for Theoretical and Computational Chemistry, St Berchmans College (Autonomous), Changanassery, Kerala, India-686101., Khairbek AA; Department of Mechanical Engineering, University Centre for Research & Development Chandigarh University, Gharuan, Mohali, Punjab, India. alikhairbek@gmail.com., Abdullah Alzahrani AY; Department of Chemistry, Faculty of Science, King Khalid University, Abha 61413, Saudi Arabia., Saleh DI; Department of Chemistry, College of Science, Taif University, Taif city, Saudi Arabia., Mahmoud SF; Department of Biotechnology, College of Science, Taif University, Taif city, Saudi Arabia. |
| Source: | Dalton transactions (Cambridge, England : 2003) [Dalton Trans] 2026 Jul 14; Vol. 55 (27), pp. 10337-10347. Date of Electronic Publication: 2026 Jul 14. |
| Publication Type: | Journal Article |
| Journal Info: | Publisher: Royal Society of Chemistry Country of Publication: England NLM ID: 101176026 Publication Model: Electronic Cited Medium: Internet ISSN: 1477-9234 (Electronic) Linking ISSN: 14779226 NLM ISO Abbreviation: Dalton Trans Subsets: MEDLINE; PubMed not MEDLINE |
| Database: | MEDLINE Ultimate |
| FullText | Text: Availability: 0 |
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| Header | DbId: mdl DbLabel: MEDLINE Ultimate An: 42381533 AccessLevel: 2 PubType: Academic Journal PubTypeId: academicJournal PreciseRelevancyScore: 0 |
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| Items | – Name: Title Label: Title Group: Ti Data: Ligand-dependent electronic structure, bonding, and optical properties of M(L)(CO)<subscript>2</subscript> complexes (L = acac, Cp, Cp; M = Fe, Co, Ni, Ru, Rh, Pd, Os, Ir, Pt): a systematic DFT/TD-DFT study. – Name: Author Label: Authors Group: Au Data: <searchLink fieldCode="AU" term="%22Thomas+R%22">Thomas R</searchLink>; Department of Chemistry, St Berchmans College (Autonomous), Changanassery, Kerala, India-686101. renjith@sbcollege.ac.in.; Centre for Theoretical and Computational Chemistry, St Berchmans College (Autonomous), Changanassery, Kerala, India-686101.<br /><searchLink fieldCode="AU" term="%22Khairbek+AA%22">Khairbek AA</searchLink>; Department of Mechanical Engineering, University Centre for Research & Development Chandigarh University, Gharuan, Mohali, Punjab, India. alikhairbek@gmail.com.<br /><searchLink fieldCode="AU" term="%22Abdullah+Alzahrani+AY%22">Abdullah Alzahrani AY</searchLink>; Department of Chemistry, Faculty of Science, King Khalid University, Abha 61413, Saudi Arabia.<br /><searchLink fieldCode="AU" term="%22Saleh+DI%22">Saleh DI</searchLink>; Department of Chemistry, College of Science, Taif University, Taif city, Saudi Arabia.<br /><searchLink fieldCode="AU" term="%22Mahmoud+SF%22">Mahmoud SF</searchLink>; Department of Biotechnology, College of Science, Taif University, Taif city, Saudi Arabia. – Name: TitleSource Label: Source Group: Src Data: <searchLink fieldCode="JN" term="%22101176026%22">Dalton transactions (Cambridge, England : 2003)</searchLink> [Dalton Trans] 2026 Jul 14; Vol. 55 (27), pp. 10337-10347. <i>Date of Electronic Publication: </i>2026 Jul 14. – Name: TypePub Label: Publication Type Group: TypPub Data: Journal Article – Name: TitleSource Label: Journal Info Group: Src Data: <i>Publisher: </i><searchLink fieldCode="PB" term="%22Royal+Society+of+Chemistry%22">Royal Society of Chemistry </searchLink><i>Country of Publication: </i>England <i>NLM ID: </i>101176026 <i>Publication Model: </i>Electronic <i>Cited Medium: </i>Internet <i>ISSN: </i>1477-9234 (Electronic) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%2214779226%22">14779226 </searchLink><i>NLM ISO Abbreviation: </i>Dalton Trans <i>Subsets: </i>MEDLINE; PubMed not MEDLINE |
| PLink | https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=mdl&AN=42381533 |
| RecordInfo | BibRecord: BibEntity: Identifiers: – Type: doi Value: 10.1039/d6dt01228k Languages: – Code: eng Text: English PhysicalDescription: Pagination: StartPage: 10337 Titles: – TitleFull: Ligand-dependent electronic structure, bonding, and optical properties of M(L)(CO)2 complexes (L = acac, Cp, Cp; M = Fe, Co, Ni, Ru, Rh, Pd, Os, Ir, Pt): a systematic DFT/TD-DFT study. Type: main BibRelationships: HasContributorRelationships: – PersonEntity: Name: NameFull: Thomas R – PersonEntity: Name: NameFull: Khairbek AA – PersonEntity: Name: NameFull: Abdullah Alzahrani AY – PersonEntity: Name: NameFull: Saleh DI – PersonEntity: Name: NameFull: Mahmoud SF IsPartOfRelationships: – BibEntity: Dates: – D: 14 M: 07 Text: 2026 Jul 14 Type: published Y: 2026 Identifiers: – Type: issn-electronic Value: 1477-9234 Numbering: – Type: volume Value: 55 – Type: issue Value: 27 Titles: – TitleFull: Dalton transactions (Cambridge, England : 2003) Type: main |
| ResultId | 1 |
