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PubMed Publications| Keyword search (4,163 papers available) |  |
"Qadir K Timerghazin" Authored Publications:
| Title | Authors | PubMed ID | |
|---|---|---|---|
| 1 | Further insight into the relaxation dynamics of photoexcited I-(H2O)n clusters | Qadir K Timerghazin | 12914436 CERMM |
| 2 | Accurate ab initio potential for the Na+...I* complex | Qadir K Timerghazin | 16438589 CERMM |
| 3 | Resonance description of S-nitrosothiols: insights into reactivity | Qadir K Timerghazin | 17616141 CERMM |
| 4 | Non-nuclear attractor of electron density as a manifestation of the solvated electron | Qadir K Timerghazin | 17705589 CERMM |
| 5 | Electronic structure of the acetonitrile and acetonitrile dimer anions: a topological investigation | Qadir K Timerghazin | 18154288 CERMM |
| 6 | Structure and stability of HSNO, the simplest S-nitrosothiol | Qadir K Timerghazin | 18327309 CHEMBIOCHEM |
| Title: | Further insight into the relaxation dynamics of photoexcited I-(H2O)n clusters | ||||
| Authors: | Qadir K Timerghazin | ||||
| Link: | https://pubmed.ncbi.nlm.nih.gov/12914436/ | ||||
| DOI: | 10.1021/ja035395b | ||||
| Publication: | Journal of the American Chemical Society | ||||
| Keywords: | |||||
| PMID: | 12914436 | Category: | Date Added: | 2003-08-14 | |
| Dept Affiliation: |
CERMM
1 Centre for Research in Molecular Modeling, Department of Chemistry & Biochemistry, Concordia University, 1455 de Maisonneuve Boulevard West, Montréal, Québec, Canada H3G 1M8. |
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Description: |
First-principles molecular dynamics simulations of the excited-state dynamics of I-(H2O)3 have been performed to gain some insight into the general features of the relaxation process of photoexcited I-(H2O)n clusters. The relaxation of excited I-(H2O)3 is characterized by rapid motion of water molecules and slow recoil motion of the iodine atom. Both solvent reorganization and iodine atom motion appear to be important for interpreting the existing femtosecond photoelectron spectroscopy... |
