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Year Number of Results
2010 2
2011 3
2012 6
2013 2
2014 4
2015 3
2016 2
2017 4
2018 5
2019 9
2020 7
2021 8
2022 4
2023 7
2024 2

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63 results

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Page 1
New venues in electron density analysis.
Landeros-Rivera B, Gallegos M, Munárriz J, Laplaza R, Contreras-García J. Landeros-Rivera B, et al. Among authors: contreras garcia j. Phys Chem Chem Phys. 2022 Sep 21;24(36):21538-21548. doi: 10.1039/d2cp01517j. Phys Chem Chem Phys. 2022. PMID: 36069366 Review.
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: contreras garcia j. 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
In silico design of bio-marker detection fluorescent probes.
Echeverri A, Botuha C, Gómez T, Luppi E, Contreras-García J, Cárdenas C. Echeverri A, et al. Among authors: contreras garcia j. Phys Chem Chem Phys. 2023 Nov 1;25(42):28603-28611. doi: 10.1039/d3cp03476c. Phys Chem Chem Phys. 2023. PMID: 37853765
Revealing noncovalent interactions.
Johnson ER, Keinan S, Mori-Sánchez P, Contreras-García J, Cohen AJ, Yang W. Johnson ER, et al. Among authors: contreras garcia j. J Am Chem Soc. 2010 May 12;132(18):6498-506. doi: 10.1021/ja100936w. J Am Chem Soc. 2010. PMID: 20394428 Free PMC article.
An Organocopper(III) Fluoride Triggering C-CF3 Bond Formation.
Joven-Sancho D, Echeverri A, Saffon-Merceron N, Contreras-García J, Nebra N. Joven-Sancho D, et al. Among authors: contreras garcia j. Angew Chem Int Ed Engl. 2024 Mar 11;63(11):e202319412. doi: 10.1002/anie.202319412. Epub 2024 Jan 22. Angew Chem Int Ed Engl. 2024. PMID: 38147576
Quantum Crystallography: Current Developments and Future Perspectives.
Genoni A, Bučinský L, Claiser N, Contreras-García J, Dittrich B, Dominiak PM, Espinosa E, Gatti C, Giannozzi P, Gillet JM, Jayatilaka D, Macchi P, Madsen AØ, Massa L, Matta CF, Merz KM Jr, Nakashima PNH, Ott H, Ryde U, Schwarz K, Sierka M, Grabowsky S. Genoni A, et al. Among authors: contreras garcia j. Chemistry. 2018 Aug 1;24(43):10881-10905. doi: 10.1002/chem.201705952. Epub 2018 Jul 13. Chemistry. 2018. PMID: 29488652
Quest for the Most Aromatic Pathway in Charged Expanded Porphyrins.
Casademont-Reig I, Woller T, García V, Contreras-García J, Tiznado W, Torrent-Sucarrat M, Matito E, Alonso M. Casademont-Reig I, et al. Among authors: contreras garcia j. Chemistry. 2023 Jan 27;29(6):e202202264. doi: 10.1002/chem.202202264. Epub 2022 Nov 28. Chemistry. 2023. PMID: 36194440 Free PMC article.
New Way for Probing Bond Strength.
Klein J, Khartabil H, Boisson JC, Contreras-García J, Piquemal JP, Hénon E. Klein J, et al. Among authors: contreras garcia j. J Phys Chem A. 2020 Mar 5;124(9):1850-1860. doi: 10.1021/acs.jpca.9b09845. Epub 2020 Feb 21. J Phys Chem A. 2020. PMID: 32039597
Tuning Azoheteroarene Photoswitch Performance through Heteroaryl Design.
Calbo J, Weston CE, White AJ, Rzepa HS, Contreras-García J, Fuchter MJ. Calbo J, et al. Among authors: contreras garcia j. J Am Chem Soc. 2017 Jan 25;139(3):1261-1274. doi: 10.1021/jacs.6b11626. Epub 2017 Jan 13. J Am Chem Soc. 2017. PMID: 28009517 Free article.
How do density functionals affect the Hirshfeld atom refinement?
Landeros-Rivera B, Ramírez-Palma D, Cortés-Guzmán F, Dominiak PM, Contreras-García J. Landeros-Rivera B, et al. Among authors: contreras garcia j. Phys Chem Chem Phys. 2023 May 10;25(18):12702-12711. doi: 10.1039/d2cp04098k. Phys Chem Chem Phys. 2023. PMID: 36644944
63 results