Skip to main page content
U.S. flag

An official website of the United States government

Dot gov

The .gov means it’s official.
Federal government websites often end in .gov or .mil. Before sharing sensitive information, make sure you’re on a federal government site.

Https

The site is secure.
The https:// ensures that you are connecting to the official website and that any information you provide is encrypted and transmitted securely.

Access keys NCBI Homepage MyNCBI Homepage Main Content Main Navigation

Search Page

Filters

My NCBI Filters

Results by year

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

Year Number of Results
2002 2
2003 5
2004 5
2005 8
2006 9
2007 9
2008 12
2009 12
2010 13
2011 12
2012 15
2013 15
2014 22
2015 30
2016 26
2017 33
2018 27
2019 30
2020 27
2021 22
2022 23
2023 21
2024 10

Text availability

Article attribute

Article type

Publication date

Search Results

367 results

Results by year

Filters applied: . Clear all
Page 1
JCTC Inaugural 2024 Early Career Advisory Board.
Gagliardi L, De Vivo M. Gagliardi L, et al. J Chem Theory Comput. 2024 Jan 23;20(2):491. doi: 10.1021/acs.jctc.3c01426. J Chem Theory Comput. 2024. PMID: 38258452 No abstract available.
A Tribute to Vincenzo Barone.
Puzzarini C, Biczysko M, Gagliardi L. Puzzarini C, et al. Among authors: gagliardi l. J Phys Chem A. 2022 Dec 15;126(49):9141-9142. doi: 10.1021/acs.jpca.2c07841. J Phys Chem A. 2022. PMID: 36519301 No abstract available.
Linearized Pair-Density Functional Theory.
Hennefarth MR, Hermes MR, Truhlar DG, Gagliardi L. Hennefarth MR, et al. Among authors: gagliardi l. J Chem Theory Comput. 2023 Jun 13;19(11):3172-3183. doi: 10.1021/acs.jctc.3c00207. Epub 2023 May 19. J Chem Theory Comput. 2023. PMID: 37207365
Using nature's blueprint to expand catalysis with Earth-abundant metals.
Bullock RM, Chen JG, Gagliardi L, Chirik PJ, Farha OK, Hendon CH, Jones CW, Keith JA, Klosin J, Minteer SD, Morris RH, Radosevich AT, Rauchfuss TB, Strotman NA, Vojvodic A, Ward TR, Yang JY, Surendranath Y. Bullock RM, et al. Among authors: gagliardi l. Science. 2020 Aug 14;369(6505):eabc3183. doi: 10.1126/science.abc3183. Science. 2020. PMID: 32792370 Free PMC article. Review.
Exact-Two-Component Multiconfiguration Pair-Density Functional Theory.
Sharma P, Jenkins AJ, Scalmani G, Frisch MJ, Truhlar DG, Gagliardi L, Li X. Sharma P, et al. Among authors: gagliardi l. J Chem Theory Comput. 2022 May 10;18(5):2947-2954. doi: 10.1021/acs.jctc.2c00062. Epub 2022 Apr 6. J Chem Theory Comput. 2022. PMID: 35384665
DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science.
Teale AM, Helgaker T, Savin A, Adamo C, Aradi B, Arbuznikov AV, Ayers PW, Baerends EJ, Barone V, Calaminici P, Cancès E, Carter EA, Chattaraj PK, Chermette H, Ciofini I, Crawford TD, De Proft F, Dobson JF, Draxl C, Frauenheim T, Fromager E, Fuentealba P, Gagliardi L, Galli G, Gao J, Geerlings P, Gidopoulos N, Gill PMW, Gori-Giorgi P, Görling A, Gould T, Grimme S, Gritsenko O, Jensen HJA, Johnson ER, Jones RO, Kaupp M, Köster AM, Kronik L, Krylov AI, Kvaal S, Laestadius A, Levy M, Lewin M, Liu S, Loos PF, Maitra NT, Neese F, Perdew JP, Pernal K, Pernot P, Piecuch P, Rebolini E, Reining L, Romaniello P, Ruzsinszky A, Salahub DR, Scheffler M, Schwerdtfeger P, Staroverov VN, Sun J, Tellgren E, Tozer DJ, Trickey SB, Ullrich CA, Vela A, Vignale G, Wesolowski TA, Xu X, Yang W. Teale AM, et al. Among authors: gagliardi l. Phys Chem Chem Phys. 2022 Dec 7;24(47):28700-28781. doi: 10.1039/d2cp02827a. Phys Chem Chem Phys. 2022. PMID: 36269074 Free PMC article. Review.
Localized Quantum Chemistry on Quantum Computers.
Otten M, Hermes MR, Pandharkar R, Alexeev Y, Gray SK, Gagliardi L. Otten M, et al. Among authors: gagliardi l. J Chem Theory Comput. 2022 Dec 13;18(12):7205-7217. doi: 10.1021/acs.jctc.2c00388. Epub 2022 Nov 8. J Chem Theory Comput. 2022. PMID: 36346785 Free PMC article.
367 results