DFT study of the fixation of CO by SPS-based pincer Rh(I) and Ir(I) complexes: regioselectivity and reactivity.
type: Dataset
contact point: Organization
  fn: CCSD
keyword: rhodiumi
keyword: journal-articles
keyword: dynamics
keyword: basis-sets
keyword: au
keyword: molecular-orbital-methods
keyword: chimcoorchemical-sciencescoordination-chemistry
keyword: ligand
keyword: chimtheochemical-sciencestheoretical-andor-physical-chemistry
keyword: polarization-functions
keyword: infoeu-reposemanticsarticle
keyword: palladium-complex
keyword: elements
keyword: density
keyword: gold
landing page: 0166-1280
description: 7 pages
issued: 2026-05-09T19:04:20.596183
language: en
modified: 2026-05-09T19:04:20.596186

test_moissonnage_selune
type: Agent

DFT study of the fixation of CO by SPS-based pincer Rh(I) and Ir(I) complexes: regioselectivity and reactivity.
type: Distribution
access URL: https://hal.science/hal-00086070
format: HTML
issued: 2026-05-09T19:04:20.598134
modified: 2026-05-09T19:04:20.582511