Fedor Naumkin
PhD
Associate Professor
Chemistry
Faculty of Science
RESEARCH: Theoretical / Computational Chemistry, with a focus on interdisciplinary Nanoscience. Research areas include atomic/molecular complexes and core-shell clusters, junctions and interfaces at molecular level. Present concentration is on highly polar supramolecular systems with enhanced optical activity and internal field moderated reactions. TEACHING: A range of 2nd- to 4th-year to graduate Physical and Computational Chemistry courses, 4 per year.
Contact information
Science Building
- Room 4051
North Oshawa
2000 Simcoe Street North
Oshawa, ON L1G 0C5
fedor.naumkin@ontariotechu.ca
http://myweb.science.uoit.ca/~fnaumkin/
Research topics
- Computational nanoscience
- core-shell clusters
- supramolecular complexes
- molecular interfaces
Areas of expertise
- Computational chemistry
- potential energy surfaces
- molecular properties
- structure-property relationships
Education
- MSc National Research Nuclear University MEPhI (Moscow Engineering Physics Institute 1987
- PhD Prokhorov General Physics Institute (Russian Academy of Sciences 1992
Courses taught
- CHEM 2010 Structure and Bonding
- CHEM 3140 Physical Chemistry for Biosciences
- CHEM 4060 Quantum Chemistry and Spectroscopy
- CHEM 4041/4042 Advanced Topics in Chemistry (Computational Chemistry)
- And earlier:
- CHEM 2040 Thermodynamics and Kinetics
- MTSC 6010 Physics and Chemistry of Materials
- MTSC 6020 Advanced Topics in Materials Science (module)
- PHY 2050 Thermodynamics and Heat Transfer
- PHY 3020 Quantum Mechanics
Research and expertise
I. Molecules trapped between counter-ions:
II. Metal clusters with carbon cores:
III. Hydrogen stored inside merged metal cages:
PUBLICATIONS
Selected recent:
S. Kerr and F. Y. Naumkin, C-C Bonding in Molecular Systems via Cross-Coupling-like Reactions Involving Noncovalently Bound Constituent Ions. Molecules 29 (2024) 4429. [ https://www.mdpi.com/1420-3049/29/18/4429 ]
F. Y. Naumkin, Metalloid–Organic Intermolecular Complexes with Charge State-Controlled Conformations. Molecules 29 (2024) 1635. [ https://www.mdpi.com/1420-3049/29/7/1635 ]
F. Y. Naumkin, A DFT study of the isomer variety of dimer-core argento-carbon clusters: From “butterflies” to side-attached to core–shell systems, Computational and Theoretical Chemistry 1231 (2024) 114442. [ https://www.sciencedirect.com/science/article/pii/S2210271X23004243 ]
F. Y. Naumkin, Main-Group Metal Complexes of Benzene: Predicted Features of Stabilization and Isomerization, Molecules 28 (2023) 5985. [ https://www.mdpi.com/1420-3049/28/16/5985 ]
M. Giammarco and F. Y. Naumkin, Carbon-Carbon Bond Formation “Catalyzed” by Ion-Pair Constituents, ChemistrySelect 8 (2023) e202300057. [ https://chemistry-europe.onlinelibrary.wiley.com/doi/abs/10.1002/slct.202300057 ]
F. Y. Naumkin, Structural evolution of dicarbon-silver cluster anions: from flat to 3-dimensional and from attached to core–shell, Molecular Physics 121 (2023) e2168468. [ https://www.tandfonline.com/doi/abs/10.1080/00268976.2023.2168468 ]
F. Y. Naumkin, Shape Symmetrization and IR-Spectral Enhancement of Aluminum Clusters via Doping with a Carbon Core. J. Phys. Chem. A 125 (2021) 5738–5744. [ https://pubs.acs.org/doi/abs/10.1021/acs.jpca.1c03174 ]
M. Sullivan and F. Y. Naumkin, Supramolecular complexes with insertion-enhanced polarity and tuned IR spectra. Int. J. Quantum Chem., 121 (2021) e26534. [ https://onlinelibrary.wiley.com/doi/abs/10.1002/qua.26534 ]
M. Sullivan and F. Y. Naumkin, Highly Polar Insertion Complexes with Focused IR Spectra and Internal Field‐Inhibited Isomerization, ChemPlusChem 85 (2020) 2438-2445. [ https://chemistry-europe.onlinelibrary.wiley.com/doi/abs/10.1002/cplu.202000626 ]
F. Y. Naumkin and D. J. Wales, Counterion-Trapped-Molecules: From High Polarity and Enriched IR Spectra to Induced Isomerization. ChemPhysChem 21 (2020) 348-355. [ https://chemistry-europe.onlinelibrary.wiley.com/doi/abs/10.1002/cphc.201901112 ]
Further list: chemistry/people/publications+reports-fn.pdf
