J. Tahir-Kheli

Computational Chemistry & Drug Discovery · 2008–2016

A researcher in the Science corpus: 5 papers; trusts 1 researcher and is trusted by 0 researchers here, as inferred from the citation graph.

Subfields

• Computational Chemistry & Drug Discovery — 5 citations into it

Whom J. Tahir-Kheli trusts overall

Their strongest outbound trust, strongest first, inferred from their citations.

1. Axel D. Becke

Papers from J. Tahir-Kheli's perspective

Ordered by how strongly the researchers J. Tahir-Kheli trusts endorse each paper. Same corpus, a different order for every researcher.

1. Inhomogeneous Electron Gas
2. Self-Consistent Equations Including Exchange and Correlation Effects
3. Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction (Journal of Computational Chemistry)
4. Density-functional exchange-energy approximation with correct asymptotic behavior.
5. Commentary: The Materials Project: A materials genome approach to accelerating materials innovation
6. Benchmark database of barrier heights for heavy atom transfer, nucleophilic substitution, association, and unimolecular reactions and its use to test theoretical methods. (Journal of Physical Chemistry A)
7. Versatile van der Waals Density Functional Based on a Meta-Generalized Gradient Approximation
8. Γ and B
9. Generalized Gradient Approximation Made Simple.
10. and s

Their papers

• Silicon nanowires as efficient thermoelectric materials (2008) — 2,348 citations
• Resolution of the Band Gap Prediction Problem for Materials Design. (2016) — 295 citations
• Accurate Band Gaps for Semiconductors from Density Functional Theory (2011) — 553 citations
• Definitive Band Gaps for Single-Wall Carbon Nanotubes (2010) — 219 citations
• Silicon Nanowires as Efficient Thermoelectric Materials. (2008) — 177 citations