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Puiatti, Marcelo, Vera, D. Mariano A., Pierini, Adriana B. (2008) Species with negative electron affinity and standard DFT methods. Finding the valence anions. Physical Chemistry Chemical Physics, 10 (10). 1394pp. doi:10.1039/b716625g

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Reference TypeJournal (article/letter/editorial)
TitleSpecies with negative electron affinity and standard DFT methods. Finding the valence anions
JournalPhysical Chemistry Chemical Physics
AuthorsPuiatti, MarceloAuthor
Vera, D. Mariano A.Author
Pierini, Adriana B.Author
Year2008Volume10
Issue10
PublisherRoyal Society of Chemistry (RSC)
DOIdoi:10.1039/b716625gSearch in ResearchGate
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Mindat Ref. ID4010335Long-form Identifiermindat:1:5:4010335:2
GUID0
Full ReferencePuiatti, Marcelo, Vera, D. Mariano A., Pierini, Adriana B. (2008) Species with negative electron affinity and standard DFT methods. Finding the valence anions. Physical Chemistry Chemical Physics, 10 (10). 1394pp. doi:10.1039/b716625g
Plain TextPuiatti, Marcelo, Vera, D. Mariano A., Pierini, Adriana B. (2008) Species with negative electron affinity and standard DFT methods. Finding the valence anions. Physical Chemistry Chemical Physics, 10 (10). 1394pp. doi:10.1039/b716625g
In(2008) Physical Chemistry Chemical Physics Vol. 10 (10) Royal Society of Chemistry (RSC)

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Puiatti, Marcelo, Vera, D. Mariano A., Pierini, Adriana B. (2009) In search for an optimal methodology to calculate the valence electron affinities of temporary anions. Physical Chemistry Chemical Physics, 11 (40). 9013pp. doi:10.1039/b908870a
Borioni, José L., Puiatti, Marcelo, Vera, D. Mariano A., Pierini, Adriana B. (2017) In search of the best DFT functional for dealing with organic anionic species. Physical Chemistry Chemical Physics, 19 (13). 9189-9198 doi:10.1039/c6cp06163j
Vera, D. Mariano A., Pierini, Adriana B. (2004) Species with negative electron affinity and standard DFT methodsElectronic supplementary information (ESI) available: (i) Details of calculations (total energies, zero point corrections, etc.) and correlations obtained with different basis sets. (ii) Color graphics: structure, dipole, SOMO diagram and spin densities. (iii) xyz coordinates of all species. See http://www.rsc.org/suppdata/cp/b4/b403898c/. Physical Chemistry Chemical Physics, 6 (11). 2899pp. doi:10.1039/b403898c
Mariano, D., Vera, A., Pierini, Adriana B. (2002) Theoretical study of electron transfer to neopentyl chloride and phenyl-substituted derivatives: existence of radical anions as intermediates. Journal of Physical Organic Chemistry, 15 (12). 894-902 doi:10.1002/poc.572
Grosso, Viviana, Previtali, Carlos, Chesta, Carlos A., Vera, D. Mariano A., Pierini, Adriana B. (2007) An experimental and theoretical study on the electrostatic effect of an appended cationic group on electronic properties of aromatic systems. Physical Chemistry Chemical Physics, 9 (45). 5988pp. doi:10.1039/b709751d
Jimenez, Liliana B., Puiatti, Marcelo, Andrada, Diego M., Brigante, Federico, Crespo Andrada, Karina F., Rossi, Roberto A., Priefer, Ronny, Pierini, Adriana B. (2018) Photoinduced nucleophilic substitution of iodocubanes with arylthiolate and diphenylphosphanide ions. Experimental and computational approaches. RSC Advances, 8 (69). 39222-39230 doi:10.1039/c8ra06275g
Joshi, Meenakshi, Ghanty, Tapan K. (2020) Unprecedented stability enhancement of multiply charged anions through decoration with negative electron affinity noble gases. Physical Chemistry Chemical Physics, 22 (24) 13368-13372 doi:10.1039/d0cp01478h
Negre, Christian F A, Jara, Gabriel E, Vera, D Mariano A, Pierini, Adriana B, Sánchez, Cristián G (2011) Detailed analysis of water structure in a solvent mediated electron tunneling mechanism. Journal of Physics: Condensed Matter, 23 (24). 245305pp. doi:10.1088/0953-8984/23/24/245305
Ceolín, Marcelo, Gálvez, Natividad, Domínguez-Vera, José M. (2008) Thermal induced phase transitions and structural relaxation in apoferritin encapsulated copper nanoparticles. Physical Chemistry Chemical Physics, 10 (29). 4327pp. doi:10.1039/b804023k
Defonsi Lestard, María E., Díaz, Sonia B., Tuttolomondo, María E., Sánchez Cortez, Santiago, Puiatti, Marcelo, Pierini, Adriana B., Ben Altabef, Aida (2012) Interaction of S-methyl methanethiosulfonate with DPPC bilayer. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 97. 479-489 doi:10.1016/j.saa.2012.06.045
Dorn, Viviana B., Silbestri, Gustavo F., Lockhart, MarĂ­a T., Chopa, Alicia B., Pierini, Adriana B. (2013) Influence of structural features of tri-functionalized aryl phosphates on the outcome of the SRN1 process with stannyl anions: a DFT study. New Journal of Chemistry, 37. 1150pp. doi:10.1039/c3nj40814k
 
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