What's the gap? A possible strategy for advancing theory, and an appeal for experimental structure data to drive that advance-Reference-Cited by-同舟云学术

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What's the gap? A possible strategy for advancing theory, and an appeal for experimental structure data to drive that advance

Published:2020 Issue:60 Volume:10 Page:36887-36896
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Sohlberg Karl¹²³⁴⁵^ORCID,Foster Michael E.¹²³⁴^ORCID

Affiliation:

1. Department of Chemistry

2. Drexel University

3. Philadelphia

4. USA

5. Department of Materials Science & Engineering

Abstract

Strong correlation between electronic structure and geometry might be capitalized upon to tune the DFT functional.

Funder

American Chemical Society Petroleum Research Fund

National Nuclear Security Administration

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2020/RA/D0RA07496A

Reference55 articles.

1. Proposed Modification of the Graphene Analogue Ni3(HITP)2 To Yield a Semiconducting Material

2. E. A.Katz , in Nanostructured Materials for Solar Energy Conversion , ed. T. Soga , Elsevier , 2006 , ch. 13, pp. 361-442

3. Spectral analysis of graphs by cyclic automorphism subgroups

4. C60: Buckminsterfullerene

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