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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: | Electronic structure of the acetonitrile and acetonitrile dimer anions: a topological investigation | ||||
| Authors: | Qadir K Timerghazin | ||||
| Link: | https://pubmed.ncbi.nlm.nih.gov/18154288/ | ||||
| DOI: | 10.1021/jp0774948 | ||||
| Publication: | The journal of physical chemistry. B | ||||
| Keywords: | |||||
| PMID: | 18154288 | Category: | Date Added: | 2007-12-25 | |
| Dept Affiliation: |
CERMM
1 Centre for Research in Molecular Modeling and Department of Chemistry & Biochemistry, Concordia University, Montréal, Québec H4B 1R6, Canada. |
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Description: |
Acetonitrile molecules are known for their intriguing ability to accommodate an excess electron in either a diffuse dipole-bound orbital, away from the valence electrons, or in its valence orbitals, depending on the environment. In this work, we report a computational investigation of the monomer and dimer acetonitrile anions, with the main goal of gaining further insight into the unusual electronic structure of these species. To this end, the topology of the electron density distribution has... |
