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Comas-Vilà, Gerard; Salvador, Pedro (2025) Capturing electronic substituent effect with effective atomic orbitals. Physical Chemistry Chemical Physics, 27 (20). doi:10.1039/d5cp01299f

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Reference TypeJournal (article/letter/editorial)
TitleCapturing electronic substituent effect with effective atomic orbitals
JournalPhysical Chemistry Chemical Physics
AuthorsComas-Vilà, GerardAuthor
Salvador, PedroAuthor
Year2025Volume27
Issue20
PublisherRoyal Society of Chemistry (RSC)
DOIdoi:10.1039/d5cp01299fSearch in ResearchGate
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Mindat Ref. ID18467508Long-form Identifiermindat:1:5:18467508:1
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Full ReferenceComas-Vilà, Gerard; Salvador, Pedro (2025) Capturing electronic substituent effect with effective atomic orbitals. Physical Chemistry Chemical Physics, 27 (20). doi:10.1039/d5cp01299f
Plain TextComas-Vilà, Gerard; Salvador, Pedro (2025) Capturing electronic substituent effect with effective atomic orbitals. Physical Chemistry Chemical Physics, 27 (20). doi:10.1039/d5cp01299f
In(2025) Physical Chemistry Chemical Physics Vol. 27 (20). Royal Society of Chemistry (RSC)

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See Also

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Comas-Vilà, Gerard; Salvador, Pedro (2025) Rationalizing Spin-Crossover Properties of Substituted Fe (II) Complexes. Inorganic Chemistry, 64 (30). doi:10.1021/acs.inorgchem.5c01523
Drosou, Maria, Comas-Vilà, Gerard, Neese, Frank, Salvador, Pedro, Pantazis, Dimitrios A. (2023) Does Serial Femtosecond Crystallography Depict State-Specific Catalytic Intermediates of the Oxygen-Evolving Complex?. Journal of the American Chemical Society, 145 (19) 10604-10621 doi:10.1021/jacs.3c00489
Mayer, I., Salvador, P. (2009) Effective atomic orbitals for fuzzy atoms. The Journal of Chemical Physics, 130 (23). 234106pp. doi:10.1063/1.3153482
Ramos-Cordoba, Eloy, Salvador, Pedro (2014) Diradical character from the local spin analysis. Physical Chemistry Chemical Physics, 16 (20). 9565pp. doi:10.1039/c4cp00939h
(2025) Front cover. Physical Chemistry Chemical Physics, 27 (20). doi:10.1039/d5cp90099a
(2025) Contents list. Physical Chemistry Chemical Physics, 27 (20). doi:10.1039/d5cp90100f
(2025) Back cover. Physical Chemistry Chemical Physics, 27 (20). doi:10.1039/d5cp90101d
Ramos-Cordoba, Eloy, Salvador, Pedro, Mayer, István (2013) The atomic orbitals of the topological atom. The Journal of Chemical Physics, 138 (21). 214107pp. doi:10.1063/1.4807775
Roberts, David W.; Mao, Yuezhi (2025) Probing “hydridic hydrogen bonds” using energy decomposition analysis based on absolutely localized molecular orbitals. Physical Chemistry Chemical Physics, 27 (27). doi:10.1039/d5cp01581b
Kim, Hyojung; Park, Sung Man; Kwon, Chan Ho (2025) Deciphering the electronic structure and conformational stability of 2-pyridinecarboxaldehyde. Physical Chemistry Chemical Physics, 27 (20). doi:10.1039/d5cp00792e
Liu, Ya; Wu, Lijun; He, Linhan (2025) Electronic band gap engineering of silicene allotropes: configuration-edge hydrogenation synergistic effect. Physical Chemistry Chemical Physics, 27 (26). doi:10.1039/d5cp00969c
 
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