Projects per year
Personal profile
Research interests
My research interests are in theoretical and computational chemistry. I apply popular methods such as DFT and solvent models toward understanding chemical phenomena and am interested in developement of theoretical models too. Recently I developed a classically inspired method to accurately describe FC transitions in cyanine dyes based on TD-DFT results and developed a simple pharmacokinetic model to understand the linear relationship between quantum chemical lipophilicities and terminal elimination half-life of antimalarial drugs. My older work involves extension of quantum mechanical molecular structural formulas, Valency Interaction Formulas, to be be based on one-electron density in molecules.
Education/Academic qualification
PhD, Theoretical Chemistry, Yale University
Aug 15 1991 → Dec 20 1995
Award Date: Dec 20 1995
Research Interest Keywords
- Theoretical Chemistry
- Quantum Chemistry
- Thermodynamics
- Molecular Structure
- Artemisinin-based combination therapy
- Cyanine dyes
- computational molecular spectroscopy
- molecular structural formulas
Expertise related to UN Sustainable Development Goals
In 2015, UN member states agreed to 17 global Sustainable Development Goals (SDGs) to end poverty, protect the planet and ensure prosperity for all. This person’s work contributes towards the following SDG(s):
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SDG 3 Good Health and Well-being -
SDG 4 Quality Education -
SDG 7 Affordable and Clean Energy -
SDG 10 Reduced Inequalities -
SDG 16 Peace, Justice and Strong Institutions
Fingerprint
The Fingerprint is created by mining the titles and abstracts of the person's research outputs and projects/funding awards to create an index of weighted terms from discipline-specific thesauri.
- 1 Similar Profiles
Projects
- 5 Finished
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North Star STEM Alliance: Building on the Legacy of Minn
Alia, J. (PI), Franklin, R. R. (PI), Haynes, C. L. (PI), Pelayo-Woodward, S. (PI), Potter, L. (PI), Stadler, B. J. (PI), Stebleton, M. J. (PI), Syed, M. (PI), Varma, K. (PI), Mc Master, R. B. (CoI), Mukasa, S. B. (CoI), Anderson, R. (Co-Principal Investigator), Jehangir, R. R. (Key Personnel), Albert, K. A. (Prior Principal Investigator), Fields, J. (Prior Principal Investigator), Goh, M. P. (Prior Principal Investigator) & Kemper, S. (Prior Principal Investigator)
THE NATIONAL SCIENCE FOUNDATION
8/1/17 → 8/31/24
Project: Research project
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Bridge to the Baccalaureate
Alia, J. (PI), Varma, K. (PI), Albert, K. A. (Prior Principal Investigator) & Goh, M. P. (Prior Principal Investigator)
2/1/15 → 8/31/23
Project: Research project
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UMM Project SEED
Ceballos, M. (PI), Alia, J. (CoI), Goodnough, J. A. (CoI) & Pappenfus, T. M. (CoI)
6/3/13 → 8/30/13
Project: Research project
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North Star STEM Alliance: Advancing to a Mid-Level Allia
Alia, J. (PI), Goh, M. P. (PI), Pelayo-Woodward, S. (PI), Garrick, S. C. (CoI), Ponce de León, F. A. (CoI), Strykowski, P. J. (CoI), Ward, J. M. (CoI), White, M. E. (CoI), Wright, R. (CoI), Albert, K. A. (Prior Principal Investigator), Carpenter, N. E. (Prior Principal Investigator) & Jones, R. (Prior Principal Investigator)
THE NATIONAL SCIENCE FOUNDATION
8/15/12 → 7/31/18
Project: Research project
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This Weekend Rocks!
Alia, J. (PI) & Cotter, J. F. (CoI)
AMERICAN INDIAN SCIENCE & ENG SOCIETY, THE NATIONAL SCIENCE FOUNDATION
6/15/12 → 12/31/12
Project: Research project
Research output
- 8 Article
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Unspecified verticality of Franck-Condon transitions, absorption and emission spectra of cyanine dyes, and a classically inspired approximation
Alia, J. D. & Flack, J. A., Nov 26 2020, In: RSC Advances. 10, 70, p. 43153-43167 15 p.Research output: Contribution to journal › Article › peer-review
Open AccessFile18 Link opens in a new tab Scopus citations108 Downloads (Pure) -
Quantum Chemical Lipophilicities of Antimalarial Drugs in Relation to Terminal Half-Life
Alia, J. D., Karl, S. & Kelly, T. D., Mar 31 2020, In: ACS Omega. 5, 12, p. 6500-6515 16 p.Research output: Contribution to journal › Article › peer-review
Open Access6 Link opens in a new tab Scopus citations -
Chemical reasoning based on an invariance property: Bond and lone pair pictures in quantum structural formulas
Alia, J., Sep 2010, In: Symmetry. 2, 3, p. 1559-1590 32 p.Research output: Contribution to journal › Article › peer-review
Open Access1 Link opens in a new tab Scopus citations -
Molecular structural formulas as one-electron density and Hamiltonian operators: The VIF method extended
Alia, J. D., Mar 29 2007, In: Journal of Physical Chemistry A. 111, 12, p. 2307-2318 12 p.Research output: Contribution to journal › Article › peer-review
2 Link opens in a new tab Scopus citations -
1-Ferrocenylbutane-1,3-dione as a scaffold for ferrocenyl-based ligands: Synthesis, X-ray and computational studies
Alia, J., Carpenter, N. E., Albrecht, A. J., Alexander, S., Bullick, T. L., Helmin, A. J., Hubers, S. A., Janzen, D. E., Koehn, J. T., Nyland, B., Thoma, L., Weyer, L., Wurst, J. & Kucera, B. E., Apr 1 2020, In: Polyhedron. 180, 114378.Research output: Contribution to journal › Article › peer-review