Mathew D. Halls
Atomic and Molecular Physics, and Optics · 2001–2016
A researcher in the Science corpus: 5 papers; trusts 2 researchers and is trusted by 0 researchers here, as inferred from the citation graph.
Subfields
- Atomic and Molecular Physics, and Optics — 17 citations into it
- Computational Chemistry & Drug Discovery — 6 citations into it
Whom Mathew D. Halls trusts overall
Their strongest outbound trust, strongest first, inferred from their citations.
Papers from Mathew D. Halls's perspective
Ordered by how strongly the researchers Mathew D. Halls trusts endorse each paper. Same corpus, a different order for every researcher.
- Analysis and comparison of 2D fingerprints: insights into database screening performance using eight fingerprint methods (Journal of Cheminformatics)
- Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density.
- The triplet state of organo-transition metal compounds. Triplet harvesting and singlet harvesting for efficient OLEDs
- Optimization of parameters for semiempirical methods VI: more modifications to the NDDO approximations and re-optimization of parameters
- What Is High-Throughput Virtual Screening? A Perspective from Organic Materials Discovery
- Endothermic energy transfer: A mechanism for generating very efficient high-energy phosphorescent emission in organic materials
- Large-Scale Systematic Analysis of 2D Fingerprint Methods and Parameters to Improve Virtual Screening Enrichments
- Evaluating Virtual Screening Methods: Good and Bad Metrics for the "Early Recognition" Problem
- Solvent engineering for high-performance inorganic-organic hybrid perovskite solar cells. (Nature Materials)
- The American Mineralogist crystal structure database
Their papers
- Noncovalent engineering of carbon nanotube surfaces by rigid, functional conjugated polymers. (2002) — 670 citations
- Jaguar: A high-performance quantum chemistry software program with strengths in life and materials sciences (2013) — 1,644 citations
- In silico evaluation of highly efficient organic light-emitting materials (2016) — 7 citations
- Harmonic frequency scaling factors for Hartree-Fock, S-VWN, B-LYP, B3-LYP, B3-PW91 and MP2 with the Sadlej pVTZ electric property basis set (2001) — 389 citations
- Molecular Orbital Study of the First Excited State of the OLED Material Tris(8-hydroxyquinoline)aluminum(III) (2001) — 190 citations