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Engineering of Magnetic Coupling in Nanographene.
Zheng Y, Li C, Zhao Y, Beyer D, Wang G, Xu C, Yue X, Chen Y, Guan DD, Li YY, Zheng H, Liu C, Luo W, Feng X, Wang S, Jia J. Zheng Y, et al. Among authors: zhao y. Phys Rev Lett. 2020 Apr 10;124(14):147206. doi: 10.1103/PhysRevLett.124.147206. Phys Rev Lett. 2020. PMID: 32338972
Resolving Quinoid Structure in Poly(para-phenylene) Chains.
Yuan B, Li C, Zhao Y, Gröning O, Zhou X, Zhang P, Guan D, Li Y, Zheng H, Liu C, Mai Y, Liu P, Ji W, Jia J, Wang S. Yuan B, et al. Among authors: zhao y. J Am Chem Soc. 2020 Jun 3;142(22):10034-10041. doi: 10.1021/jacs.0c01930. Epub 2020 May 18. J Am Chem Soc. 2020. PMID: 32372644
Precise Control of π-Electron Magnetism in Metal-Free Porphyrins.
Zhao Y, Jiang K, Li C, Liu Y, Xu C, Zheng W, Guan D, Li Y, Zheng H, Liu C, Luo W, Jia J, Zhuang X, Wang S. Zhao Y, et al. J Am Chem Soc. 2020 Oct 28;142(43):18532-18540. doi: 10.1021/jacs.0c07791. Epub 2020 Oct 16. J Am Chem Soc. 2020. PMID: 32959653
Designer spin order in diradical nanographenes.
Zheng Y, Li C, Xu C, Beyer D, Yue X, Zhao Y, Wang G, Guan D, Li Y, Zheng H, Liu C, Liu J, Wang X, Luo W, Feng X, Wang S, Jia J. Zheng Y, et al. Among authors: zhao y. Nat Commun. 2020 Nov 27;11(1):6076. doi: 10.1038/s41467-020-19834-2. Nat Commun. 2020. PMID: 33247127 Free PMC article.
NWChem: Past, present, and future.
Aprà E, Bylaska EJ, de Jong WA, Govind N, Kowalski K, Straatsma TP, Valiev M, van Dam HJJ, Alexeev Y, Anchell J, Anisimov V, Aquino FW, Atta-Fynn R, Autschbach J, Bauman NP, Becca JC, Bernholdt DE, Bhaskaran-Nair K, Bogatko S, Borowski P, Boschen J, Brabec J, Bruner A, Cauët E, Chen Y, Chuev GN, Cramer CJ, Daily J, Deegan MJO, Dunning TH Jr, Dupuis M, Dyall KG, Fann GI, Fischer SA, Fonari A, Früchtl H, Gagliardi L, Garza J, Gawande N, Ghosh S, Glaesemann K, Götz AW, Hammond J, Helms V, Hermes ED, Hirao K, Hirata S, Jacquelin M, Jensen L, Johnson BG, Jónsson H, Kendall RA, Klemm M, Kobayashi R, Konkov V, Krishnamoorthy S, Krishnan M, Lin Z, Lins RD, Littlefield RJ, Logsdail AJ, Lopata K, Ma W, Marenich AV, Martin Del Campo J, Mejia-Rodriguez D, Moore JE, Mullin JM, Nakajima T, Nascimento DR, Nichols JA, Nichols PJ, Nieplocha J, Otero-de-la-Roza A, Palmer B, Panyala A, Pirojsirikul T, Peng B, Peverati R, Pittner J, Pollack L, Richard RM, Sadayappan P, Schatz GC, Shelton WA, Silverstein DW, Smith DMA, Soares TA, Song D, Swart M, Taylor HL, Thomas GS, Tipparaju V, Truhlar DG, Tsemekhman K, Van Voorhis T, Vázquez-Mayagoitia Á, Verma P, Villa O, Vishnu A, Vogiatzis KD, Wang D, Weare JH,… See abstract for full author list ➔ Aprà E, et al. Among authors: zhao y. J Chem Phys. 2020 May 14;152(18):184102. doi: 10.1063/5.0004997. J Chem Phys. 2020. PMID: 32414274
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