Highly efficient Ca ²⁺ chelation activated by visible light.

Autor: Egodawaththa NM; Department of Chemistry and Chemical Engineering, Florida Institute of Technology, Melbourne, Florida 32901, USA. nesnas@fit.edu., Rajhel O; Department of Chemistry and Chemical Engineering, Florida Institute of Technology, Melbourne, Florida 32901, USA. nesnas@fit.edu., Ma J; Department of Chemistry and Chemical Engineering, Florida Institute of Technology, Melbourne, Florida 32901, USA. nesnas@fit.edu., Guruge C; Department of Chemistry and Chemical Engineering, Florida Institute of Technology, Melbourne, Florida 32901, USA. nesnas@fit.edu., Pabarue AB; Department of Chemistry and Chemical Engineering, Florida Institute of Technology, Melbourne, Florida 32901, USA. nesnas@fit.edu., Harris E; Department of Chemistry and Chemical Engineering, Florida Institute of Technology, Melbourne, Florida 32901, USA. nesnas@fit.edu., Peverati R; Department of Chemistry and Chemical Engineering, Florida Institute of Technology, Melbourne, Florida 32901, USA. nesnas@fit.edu., Nesnas N; Department of Chemistry and Chemical Engineering, Florida Institute of Technology, Melbourne, Florida 32901, USA. nesnas@fit.edu.

Publikováno v: Organic & biomolecular chemistry [Org Biomol Chem] 2024 Sep 11; Vol. 22 (35), pp. 7194-7202. Date of Electronic Publication: 2024 Sep 11.

NWChem: Past, present, and future

Autor: 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, 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

Publikováno v: Journal of Chemical Physics, vol 152, iss 18
The Journal of chemical physics, vol 152, iss 18

Specialized computational chemistry packages have permanently reshaped the landscape of chemical and materials science by providing tools to support and guide experimental efforts and for the prediction of atomistic and electronic properties. In this

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::0267d64a75197a015acad13794a834b0
https://escholarship.org/uc/item/21w7f5w7

Tento výsledek nelze pro nepřihlášené uživatele zobrazit.
K zobrazení výsledku je třeba se přihlásit.

Zinc Ammonio-dodecaborates: Synthesis, Lewis Acid Strength, and Reactivity.

Autor: Wehmschulte RJ; Chemistry Program, Florida Institute of Technology, 150 West University Boulevard, Melbourne, Florida 32901, United States., Bayliss B; Chemistry Program, Florida Institute of Technology, 150 West University Boulevard, Melbourne, Florida 32901, United States., Reed S; Chemistry Program, Florida Institute of Technology, 150 West University Boulevard, Melbourne, Florida 32901, United States., Wesenberg C; Chemistry Program, Florida Institute of Technology, 150 West University Boulevard, Melbourne, Florida 32901, United States., Morgante P; Chemistry Program, Florida Institute of Technology, 150 West University Boulevard, Melbourne, Florida 32901, United States., Peverati R; Chemistry Program, Florida Institute of Technology, 150 West University Boulevard, Melbourne, Florida 32901, United States., Neal S; Chemistry Program, Florida Institute of Technology, 150 West University Boulevard, Melbourne, Florida 32901, United States., Chouinard CD; Chemistry Program, Florida Institute of Technology, 150 West University Boulevard, Melbourne, Florida 32901, United States., Tolosa D; Chemistry Program, Florida Institute of Technology, 150 West University Boulevard, Melbourne, Florida 32901, United States., Powell DR; Department of Chemistry and Biochemistry, University of Oklahoma, 101 Stephenson Parkway, Norman, Oklahoma 73019-5251, United States.

Publikováno v: Inorganic chemistry [Inorg Chem] 2022 May 09; Vol. 61 (18), pp. 7032-7042. Date of Electronic Publication: 2022 Apr 26.

Design and synthesis of 3,3'-triazolyl biisoquinoline N , N' -dioxides via Hiyama cross-coupling of 4-trimethylsilyl-1,2,3-triazoles.

Autor: Sun S; Chemistry Program, Department of Biomedical and Chemical Engineering and Sciences, Florida Institute of Technology, 150 West University Boulevard, Melbourne, Florida 32901-6975, United States., Reep C; Chemistry Program, Department of Biomedical and Chemical Engineering and Sciences, Florida Institute of Technology, 150 West University Boulevard, Melbourne, Florida 32901-6975, United States., Zhang C; Chemistry Program, Department of Biomedical and Chemical Engineering and Sciences, Florida Institute of Technology, 150 West University Boulevard, Melbourne, Florida 32901-6975, United States., Captain B; Department of Chemistry, University of Miami, 1301 Memorial Drive, Coral Gables, Florida 33146-0431, United States., Peverati R; Chemistry Program, Department of Biomedical and Chemical Engineering and Sciences, Florida Institute of Technology, 150 West University Boulevard, Melbourne, Florida 32901-6975, United States., Takenaka N; Chemistry Program, Department of Biomedical and Chemical Engineering and Sciences, Florida Institute of Technology, 150 West University Boulevard, Melbourne, Florida 32901-6975, United States.

Publikováno v: Tetrahedron letters [Tetrahedron Lett] 2021 Sep 28; Vol. 81. Date of Electronic Publication: 2021 Aug 21.