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SmB6- Cluster Anion: Covalency Involving f Orbitals.
Robinson PJ, Zhang X, McQueen T, Bowen KH, Alexandrova AN. Robinson PJ, et al. J Phys Chem A. 2017 Mar 2;121(8):1849-1854. doi: 10.1021/acs.jpca.7b00247. Epub 2017 Feb 16. J Phys Chem A. 2017. PMID: 28182423 Free article.
Dynamical Bonding Driving Mixed Valency in a Metal Boride.
Robinson PJ, Munarriz J, Valentine ME, Granmoe A, Drichko N, Chamorro JR, Rosa PF, McQueen TM, Alexandrova AN. Robinson PJ, et al. Angew Chem Int Ed Engl. 2020 Jun 26;59(27):10996-11002. doi: 10.1002/anie.202000945. Epub 2020 Apr 6. Angew Chem Int Ed Engl. 2020. PMID: 32202032
Recent developments in the PySCF program package.
Sun Q, Zhang X, Banerjee S, Bao P, Barbry M, Blunt NS, Bogdanov NA, Booth GH, Chen J, Cui ZH, Eriksen JJ, Gao Y, Guo S, Hermann J, Hermes MR, Koh K, Koval P, Lehtola S, Li Z, Liu J, Mardirossian N, McClain JD, Motta M, Mussard B, Pham HQ, Pulkin A, Purwanto W, Robinson PJ, Ronca E, Sayfutyarova ER, Scheurer M, Schurkus HF, Smith JET, Sun C, Sun SN, Upadhyay S, Wagner LK, Wang X, White A, Whitfield JD, Williamson MJ, Wouters S, Yang J, Yu JM, Zhu T, Berkelbach TC, Sharma S, Sokolov AY, Chan GK. Sun Q, et al. Among authors: robinson pj. J Chem Phys. 2020 Jul 14;153(2):024109. doi: 10.1063/5.0006074. J Chem Phys. 2020. PMID: 32668948
748 results