On the CO ... adsorption in a boron nitride analog for the recently synthesized biphenylene network: a DFT study.
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| Title: | On the CO ... adsorption in a boron nitride analog for the recently synthesized biphenylene network: a DFT study. |
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| Authors: | Santos EJA; Department of Physics, State University of Piauí, Teresina, Piauí, 64002-150, Brazil., Giozza WF; Faculty of Technology, Department of Electrical Engineering, University of Brasília, Brasília, Brazil., de Souza Júnior RT; Faculty of Technology, Department of Electrical Engineering, University of Brasília, Brasília, Brazil., Nepomuceno Cavalcante NJ; Department of Physics, State University of Piauí, Teresina, Piauí, 64002-150, Brazil., Ribeiro Júnior LA; University of Brasilia, Institute of Physics, Brasília, 70910-900, Brazil. ribeirojr@unb.br.; Computational Materials Laboratory, LCCMat, Institute of Physics, University of Brasília, Brasília, 70910-900, Brazil. ribeirojr@unb.br., Lopes Lima KA; Department of Physics, State University of Piauí, Teresina, Piauí, 64002-150, Brazil. |
| Source: | Journal of molecular modeling [J Mol Model] 2023 Sep 29; Vol. 29 (10), pp. 327. Date of Electronic Publication: 2023 Sep 29. |
| Publication Type: | Journal Article |
| Journal Info: | Publisher: Springer Country of Publication: Germany NLM ID: 9806569 Publication Model: Electronic Cited Medium: Internet ISSN: 0948-5023 (Electronic) Linking ISSN: 09485023 NLM ISO Abbreviation: J Mol Model Subsets: MEDLINE; PubMed not MEDLINE |
| Database: | MEDLINE Ultimate |
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| ISSN: | 0948-5023 |
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| DOI: | 10.1007/s00894-023-05709-y |
