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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: | Structure and stability of HSNO, the simplest S-nitrosothiol | ||||
| Authors: | Qadir K Timerghazin | ||||
| Link: | https://pubmed.ncbi.nlm.nih.gov/18327309/ | ||||
| DOI: | 10.1039/b715025c | ||||
| Publication: | Physical chemistry chemical physics : PCCP | ||||
| Keywords: | |||||
| PMID: | 18327309 | Category: | Date Added: | 2008-03-11 | |
| Dept Affiliation: |
CHEMBIOCHEM
1 Centre for Research in Molecular Modeling, and Department of Chemistry and Biochemistry, Concordia University, 7141 Sherbrooke Street West, Montréal, Québec, Canada H4B 1R6. |
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Description: |
High-level ab initio calculations employing the CCSD and CCSD(T) coupled cluster methods with a series of systematically convergent correlation-consistent basis sets have been performed to obtain accurate molecular geometry and energetic properties of the simplest S-nitrosothiol (RSNO), HSNO. The properties of the S-N bond, which are central to the physiological role of RSNOs in the storage and transport of nitric oxide, are highlighted. Following corrections for quadruple excitations,... |
