Nanobiodata.org
Nanobiodata.org is a WIP open source project to create a knowledge base for computational chemistry of nanomaterial systems and properties.
Projects
*
In quantitative structure-activity relationship (QSAR) or studies, large number of numeric chemical descriptors are calculated for the compounds under study. These chemical descriptor datasets can vary from depending on both the study focus and the software used to generate them, and for larger studies, data management constitutes a challenge to the research process.
Recent Posts
Recent Publications
Quickly discover relevant content by filtering publications.
(2022).
Improving Near-Infrared Emission of textitmeso -Aryldipyrrin Indium(III) Complexes via Annulation Bridging: Excited-State Dynamics.
The Journal of Physical Chemistry Letters.
(2022).
Water-soluble dinuclear iridium and ruthenium bis-terdentate complexes: photophysics and electrochemiluminescence.
Dalton Transactions.
(2021).
Mono-/Bimetallic Neutral Iridium(III) Complexes Bearing Diketopyrrolopyrrole-Substituted N-Heterocyclic Carbene Ligands: Synthesis and Photophysics.
Inorganic Chemistry.
(2021).
Extending Fluorescence of meso-Aryldipyrrin Indium(III) Complexes to Near-Infrared Regions via Electron Withdrawing or π-Expansive Aryl Substituents.
The Journal of Physical Chemistry Letters.
Contact
Project Contacts
For general questions about the project, please contact the project leads:
Project PI: Prof. Bakhtiyor Rasulev | 701-231-6467 | bakhtiyor.rasulev[at]ndsu.edu
Technical Administrator: Stephen Szwiec | stephen.szwiec[at]ndsu.edu
Address: NDSU Dept. 2760 | P.O. Box 6050 | Fargo, ND 58108-6050
Project Co-PIs
- Prof. Svetlana Kilina
- Prof. Wenfang Sun
- Prof. Dmitri Kilin
Team Members
- Dr. Gerardo Casanola-Martin
- Dr. Yulun Han
- Stephen Szwiec
- Anas Karuth
- Kweeni Iduoku
- Angel Gallegos
- Steven Westra
- Xinyang Sun