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

Year Number of Results
2005 2
2006 2
2007 2
2008 2
2009 1
2010 1
2011 2
2012 1
2013 3
2014 5
2015 3
2016 1
2017 4
2018 1
2019 1
2020 5
2021 5
2022 7
2024 0

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46 results

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Page 1
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. 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.
Optimizing Molecular Geometries in Strong Magnetic Fields.
Irons TJP, David G, Teale AM. Irons TJP, et al. Among authors: teale am. J Chem Theory Comput. 2021 Apr 13;17(4):2166-2185. doi: 10.1021/acs.jctc.0c01297. Epub 2021 Mar 16. J Chem Theory Comput. 2021. PMID: 33724812 Free PMC article.
Structural and Electronic Studies of Substituted m-Terphenyl Group 12 Complexes.
Valentine AJ, Taylor LJ, Geer AM, Huke CD, Wood KE, Tovey W, Lewis W, Argent SP, Teale AM, McMaster J, Kays DL. Valentine AJ, et al. Among authors: teale am. Organometallics. 2022 Jun 13;41(11):1426-1433. doi: 10.1021/acs.organomet.2c00156. Epub 2022 May 30. Organometallics. 2022. PMID: 36157255 Free PMC article.
Structural and electronic studies of substituted m-terphenyl lithium complexes.
Valentine AJ , Geer AM , Taylor LJ , Teale AM , Wood KE , Williams HEL , Lewis W , Argent SP , McMaster J , Kays DL . Valentine AJ , et al. Among authors: teale am. Dalton Trans. 2021 Jan 14;50(2):722-728. doi: 10.1039/d0dt03972a. Epub 2020 Dec 21. Dalton Trans. 2021. PMID: 33346293
The Dalton quantum chemistry program system.
Aidas K, Angeli C, Bak KL, Bakken V, Bast R, Boman L, Christiansen O, Cimiraglia R, Coriani S, Dahle P, Dalskov EK, Ekström U, Enevoldsen T, Eriksen JJ, Ettenhuber P, Fernández B, Ferrighi L, Fliegl H, Frediani L, Hald K, Halkier A, Hättig C, Heiberg H, Helgaker T, Hennum AC, Hettema H, Hjertenæs E, Høst S, Høyvik IM, Iozzi MF, Jansík B, Jensen HJ, Jonsson D, Jørgensen P, Kauczor J, Kirpekar S, Kjærgaard T, Klopper W, Knecht S, Kobayashi R, Koch H, Kongsted J, Krapp A, Kristensen K, Ligabue A, Lutnæs OB, Melo JI, Mikkelsen KV, Myhre RH, Neiss C, Nielsen CB, Norman P, Olsen J, Olsen JM, Osted A, Packer MJ, Pawlowski F, Pedersen TB, Provasi PF, Reine S, Rinkevicius Z, Ruden TA, Ruud K, Rybkin VV, Sałek P, Samson CC, de Merás AS, Saue T, Sauer SP, Schimmelpfennig B, Sneskov K, Steindal AH, Sylvester-Hvid KO, Taylor PR, Teale AM, Tellgren EI, Tew DP, Thorvaldsen AJ, Thøgersen L, Vahtras O, Watson MA, Wilson DJ, Ziolkowski M, Agren H. Aidas K, et al. Among authors: teale am. Wiley Interdiscip Rev Comput Mol Sci. 2014 May;4(3):269-284. doi: 10.1002/wcms.1172. Wiley Interdiscip Rev Comput Mol Sci. 2014. PMID: 25309629 Free PMC article.
46 results