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Table representation of search results timeline featuring number of search results per year.

Year Number of Results
2008 2
2009 5
2010 4
2011 5
2012 7
2013 6
2014 4
2015 13
2016 4
2017 9
2018 6
2019 5
2020 6
2021 17
2022 12
2023 11
2024 2

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116 results

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Page 1
NWChem: Recent and Ongoing Developments.
Mejia-Rodriguez D, Aprà E, Autschbach J, Bauman NP, Bylaska EJ, Govind N, Hammond JR, Kowalski K, Kunitsa A, Panyala A, Peng B, Rehr JJ, Song H, Tretiak S, Valiev M, Vila FD. Mejia-Rodriguez D, et al. Among authors: govind n. J Chem Theory Comput. 2023 Oct 24;19(20):7077-7096. doi: 10.1021/acs.jctc.3c00421. Epub 2023 Jul 17. J Chem Theory Comput. 2023. PMID: 37458314
Supersaturated calcium carbonate solutions are classical.
Henzler K, Fetisov EO, Galib M, Baer MD, Legg BA, Borca C, Xto JM, Pin S, Fulton JL, Schenter GK, Govind N, Siepmann JI, Mundy CJ, Huthwelker T, De Yoreo JJ. Henzler K, et al. Among authors: govind n. Sci Adv. 2018 Jan 26;4(1):eaao6283. doi: 10.1126/sciadv.aao6283. eCollection 2018 Jan. Sci Adv. 2018. PMID: 29387793 Free PMC article.
Real-Time Time-Dependent Electronic Structure Theory.
Li X, Govind N, Isborn C, DePrince AE 3rd, Lopata K. Li X, et al. Among authors: govind n. Chem Rev. 2020 Sep 23;120(18):9951-9993. doi: 10.1021/acs.chemrev.0c00223. Epub 2020 Aug 19. Chem Rev. 2020. PMID: 32813506
Self-Organization of 1-Propanol at H-ZSM-5 Brønsted Acid Sites.
Kim S, Lee MS, Camaioni DM, Gutiérrez OY, Glezakou VA, Govind N, Huthwelker T, Zhao R, Rousseau R, Fulton JL, Lercher JA. Kim S, et al. Among authors: govind n. JACS Au. 2023 Aug 30;3(9):2487-2497. doi: 10.1021/jacsau.3c00259. eCollection 2023 Sep 25. JACS Au. 2023. PMID: 37772176 Free PMC article.
Femtosecond X-ray Spectroscopy Directly Quantifies Transient Excited-State Mixed Valency.
Liekhus-Schmaltz C, Fox ZW, Andersen A, Kjaer KS, Alonso-Mori R, Biasin E, Carlstad J, Chollet M, Gaynor JD, Glownia JM, Hong K, Kroll T, Lee JH, Poulter BI, Reinhard M, Sokaras D, Zhang Y, Doumy G, March AM, Southworth SH, Mukamel S, Cordones AA, Schoenlein RW, Govind N, Khalil M. Liekhus-Schmaltz C, et al. Among authors: govind n. J Phys Chem Lett. 2022 Jan 13;13(1):378-386. doi: 10.1021/acs.jpclett.1c03613. Epub 2022 Jan 5. J Phys Chem Lett. 2022. PMID: 34985900
A Perspective on Sustainable Computational Chemistry Software Development and Integration.
Di Felice R, Mayes ML, Richard RM, Williams-Young DB, Chan GK, de Jong WA, Govind N, Head-Gordon M, Hermes MR, Kowalski K, Li X, Lischka H, Mueller KT, Mutlu E, Niklasson AMN, Pederson MR, Peng B, Shepard R, Valeev EF, van Schilfgaarde M, Vlaisavljevich B, Windus TL, Xantheas SS, Zhang X, Zimmerman PM. Di Felice R, et al. Among authors: govind n. J Chem Theory Comput. 2023 Oct 24;19(20):7056-7076. doi: 10.1021/acs.jctc.3c00419. Epub 2023 Sep 28. J Chem Theory Comput. 2023. PMID: 37769271 Free PMC article.
Basis Set Selection for Molecular Core-Level GW Calculations.
Mejia-Rodriguez D, Kunitsa A, Aprà E, Govind N. Mejia-Rodriguez D, et al. Among authors: govind n. J Chem Theory Comput. 2022 Aug 9;18(8):4919-4926. doi: 10.1021/acs.jctc.2c00247. Epub 2022 Jul 11. J Chem Theory Comput. 2022. PMID: 35816679
Magnetic Ordering in Gold Nanoclusters.
Agrachev M, Antonello S, Dainese T, Ruzzi M, Zoleo A, Aprà E, Govind N, Fortunelli A, Sementa L, Maran F. Agrachev M, et al. Among authors: govind n. ACS Omega. 2017 Jun 12;2(6):2607-2617. doi: 10.1021/acsomega.7b00472. eCollection 2017 Jun 30. ACS Omega. 2017. PMID: 31457603 Free PMC article.
116 results