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2011 1
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2013 4
2014 3
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Page 1
Nine questions on energy decomposition analysis.
Andrés J, Ayers PW, Boto RA, Carbó-Dorca R, Chermette H, Cioslowski J, Contreras-García J, Cooper DL, Frenking G, Gatti C, Heidar-Zadeh F, Joubert L, Martín Pendás Á, Matito E, Mayer I, Misquitta AJ, Mo Y, Pilmé J, Popelier PLA, Rahm M, Ramos-Cordoba E, Salvador P, Schwarz WHE, Shahbazian S, Silvi B, Solà M, Szalewicz K, Tognetti V, Weinhold F, Zins ÉL. Andrés J, et al. Among authors: ramos cordoba e. J Comput Chem. 2019 Oct 5;40(26):2248-2283. doi: 10.1002/jcc.26003. Epub 2019 Jun 28. J Comput Chem. 2019. PMID: 31251411
Separation of dynamic and nondynamic correlation.
Ramos-Cordoba E, Salvador P, Matito E. Ramos-Cordoba E, et al. Phys Chem Chem Phys. 2016 Aug 24;18(34):24015-23. doi: 10.1039/c6cp03072f. Phys Chem Chem Phys. 2016. PMID: 27523386
Electron correlation effects in third-order densities.
Rodriguez-Mayorga M, Ramos-Cordoba E, Feixas F, Matito E. Rodriguez-Mayorga M, et al. Among authors: ramos cordoba e. Phys Chem Chem Phys. 2017 Feb 8;19(6):4522-4529. doi: 10.1039/c6cp07616e. Phys Chem Chem Phys. 2017. PMID: 28121319
How Aromatic Are Molecular Nanorings? The Case of a Six-Porphyrin Nanoring*.
Casademont-Reig I, Guerrero-Avilés R, Ramos-Cordoba E, Torrent-Sucarrat M, Matito E. Casademont-Reig I, et al. Among authors: ramos cordoba e. Angew Chem Int Ed Engl. 2021 Nov 2;60(45):24080-24088. doi: 10.1002/anie.202108997. Epub 2021 Aug 12. Angew Chem Int Ed Engl. 2021. PMID: 34260804 Free PMC article.
Local Descriptors of Dynamic and Nondynamic Correlation.
Ramos-Cordoba E, Matito E. Ramos-Cordoba E, et al. J Chem Theory Comput. 2017 Jun 13;13(6):2705-2711. doi: 10.1021/acs.jctc.7b00293. Epub 2017 Jun 2. J Chem Theory Comput. 2017. PMID: 28520420 Free article.
Oxidation States from Wave Function Analysis.
Ramos-Cordoba E, Postils V, Salvador P. Ramos-Cordoba E, et al. J Chem Theory Comput. 2015 Apr 14;11(4):1501-8. doi: 10.1021/ct501088v. J Chem Theory Comput. 2015. PMID: 26574361
Natural range separation of the Coulomb hole.
Via-Nadal M, Rodríguez-Mayorga M, Ramos-Cordoba E, Matito E. Via-Nadal M, et al. Among authors: ramos cordoba e. J Chem Phys. 2022 May 14;156(18):184106. doi: 10.1063/5.0085284. J Chem Phys. 2022. PMID: 35568554
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: ramos cordoba e. J Chem Phys. 2021 Aug 28;155(8):084801. doi: 10.1063/5.0055522. J Chem Phys. 2021. PMID: 34470363 Free PMC article.
All-Purpose Measure of Electron Correlation for Multireference Diagnostics.
Xu X, Soriano-Agueda L, López X, Ramos-Cordoba E, Matito E. Xu X, et al. Among authors: ramos cordoba e. J Chem Theory Comput. 2024 Jan 23;20(2):721-727. doi: 10.1021/acs.jctc.3c01073. Epub 2023 Dec 29. J Chem Theory Comput. 2024. PMID: 38157841 Free PMC article.
30 results