Deductive molecular mechanics of four-coordinated carbon allotropes-Reference-Cited by-同舟云学术

Deductive molecular mechanics of four-coordinated carbon allotropes

Published:2019 Issue:33 Volume:21 Page:18138-18148
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Popov Ilya V.¹²³⁴²,Slavin Victor V.⁵⁶,Tchougréeff Andrei L.¹²³⁴²^ORCID,Dronskowski Richard⁷⁸⁹¹⁰¹¹^ORCID

Affiliation:

1. A.N. Frumkin Institute of Physical Chemistry and Electrochemistry of the Russian Academy of Science

2. Moscow

3. Russia

4. Independent University of Moscow

5. B. Verkin Institute for Low Temperature Physics and Engineering of the National Academy of Sciences of Ukraine

6. Ukraine

7. Chair of Solid State and Quantum Chemistry

8. RWTH Aachen University

9. 52056 Aachen

10. Germany

11. Jülich–Aachen Research Alliance

Abstract

We propose a semi-quantitative quantum-chemical model ranging the energies of four-coordinated carbon allotropes on the energy scale and providing efficient and precise estimates of their structure and elastic properties (hardness).

Funder

Volkswagen Foundation

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2019/CP/C9CP03504D

Reference74 articles.

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