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Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package.
Epifanovsky E, Gilbert ATB, Feng X, Lee J, Mao Y, Mardirossian N, Pokhilko P, White AF, Coons MP, Dempwolff AL, Gan Z, Hait D, Horn PR, Jacobson LD, Kaliman I, Kussmann J, Lange AW, Lao KU, Levine DS, Liu J, McKenzie SC, Morrison AF, Nanda KD, Plasser F, Rehn DR, Vidal ML, You ZQ, Zhu Y, Alam B, Albrecht BJ, Aldossary A, Alguire E, Andersen JH, Athavale V, Barton D, Begam K, Behn A, Bellonzi N, Bernard YA, Berquist EJ, Burton HGA, Carreras A, Carter-Fenk K, Chakraborty R, Chien AD, Closser KD, Cofer-Shabica V, Dasgupta S, de Wergifosse M, Deng J, Diedenhofen M, Do H, Ehlert S, Fang PT, Fatehi S, Feng Q, Friedhoff T, Gayvert J, Ge Q, Gidofalvi G, Goldey M, Gomes J, González-Espinoza CE, Gulania S, Gunina AO, Hanson-Heine MWD, Harbach PHP, Hauser A, Herbst MF, Hernández Vera M, Hodecker M, Holden ZC, Houck S, Huang X, Hui K, Huynh BC, Ivanov M, Jász Á, Ji H, Jiang H, Kaduk B, Kähler S, Khistyaev K, Kim J, Kis G, Klunzinger P, Koczor-Benda Z, Koh JH, Kosenkov D, Koulias L, Kowalczyk T, Krauter CM, Kue K, Kunitsa A, Kus T, Ladjánszki I, Landau A, Lawler KV, Lefrancois D, Lehtola S, Li RR, Li YP, Liang J, Liebenthal M, Lin HH, Lin YS, Liu F, Liu KY, Loipersberger M, Luenser A, Manjanat… See abstract for full author list ➔ Epifanovsky E, et al. Among authors: tornai gj. J Chem Phys. 2021 Aug 28;155(8):084801. doi: 10.1063/5.0055522. J Chem Phys. 2021. PMID: 34470363 Free PMC article.
Towards chemically accurate QM/MM simulations on GPUs.
Jász Á, Rák Á, Ladjánszki I, Tornai GJ, Cserey G. Jász Á, et al. Among authors: tornai gj. J Mol Graph Model. 2020 May;96:107536. doi: 10.1016/j.jmgm.2020.107536. Epub 2020 Jan 16. J Mol Graph Model. 2020. PMID: 31981899
[Our metabolic surgical activity, 2010-2016].
Mohos E, Nagy A, Szabados G, Szabó L, Szabó L, Gál B, Kiss M, Réti G, Kovács T, Jánó Z, Berki C, Mohay J, Bene K, Bognár G, Horzov M, Mohos P, Sándor G, Tornai G, Szenkovits P, Nagy T, Orbán C, Herpai V. Mohos E, et al. Magy Seb. 2016 Dec;69(4):171-177. doi: 10.1556/1046.69.2016.4.5. Magy Seb. 2016. PMID: 27991021 Hungarian.
[The idopathic granulomatous mastitis. A rare entity in our departments practice].
Gurdon IT, Ligeti E, Réti G, Horzov M, Bognár G, Kovács T, Berki C, Jánó Z, Mohay J, Bene EK, Mohos P, Tornai G, Sándor G, Szenkovits P, Nagy TS, Orbán C, Herpai V, Mohos E. Gurdon IT, et al. Magy Seb. 2019 Sep;72(3):103-106. doi: 10.1556/1046.72.2019.3.3. Magy Seb. 2019. PMID: 31544483 Hungarian.