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 |
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