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Pozzi, C. Gustavo, Fantoni, Adolfo C., Goeta, Andrés E., de Matos Gomes, Etelvina, McIntyre, Garry J., Punte, Graciela (2013) On the use of crystal vibrational modes in the estimation of the anisotropic displacement parameters of hydrogen atoms in molecular crystals: para-Nitroaniline as a test case. Chemical Physics, 423. 85-91 doi:10.1016/j.chemphys.2013.07.004

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Reference TypeJournal (article/letter/editorial)
TitleOn the use of crystal vibrational modes in the estimation of the anisotropic displacement parameters of hydrogen atoms in molecular crystals: para-Nitroaniline as a test case
JournalChemical Physics
AuthorsPozzi, C. GustavoAuthor
Fantoni, Adolfo C.Author
Goeta, Andrés E.Author
de Matos Gomes, EtelvinaAuthor
McIntyre, Garry J.Author
Punte, GracielaAuthor
Year2013 (September)Volume423
PublisherElsevier BV
DOIdoi:10.1016/j.chemphys.2013.07.004Search in ResearchGate
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Mindat Ref. ID5963492Long-form Identifiermindat:1:5:5963492:4
GUID0
Full ReferencePozzi, C. Gustavo, Fantoni, Adolfo C., Goeta, Andrés E., de Matos Gomes, Etelvina, McIntyre, Garry J., Punte, Graciela (2013) On the use of crystal vibrational modes in the estimation of the anisotropic displacement parameters of hydrogen atoms in molecular crystals: para-Nitroaniline as a test case. Chemical Physics, 423. 85-91 doi:10.1016/j.chemphys.2013.07.004
Plain TextPozzi, C. Gustavo, Fantoni, Adolfo C., Goeta, Andrés E., de Matos Gomes, Etelvina, McIntyre, Garry J., Punte, Graciela (2013) On the use of crystal vibrational modes in the estimation of the anisotropic displacement parameters of hydrogen atoms in molecular crystals: para-Nitroaniline as a test case. Chemical Physics, 423. 85-91 doi:10.1016/j.chemphys.2013.07.004
In(n.d.) Chemical Physics Vol. 423. Elsevier BV

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Fantoni, Adolfo C., Pozzi, C. Gustavo, Punte, Graciela (2009) On the Electron Density Topology and Electrostatic Properties of Nitroanilines. A Theoretical Investigation onm-Nitroaniline and 2-Methyl-5-nitroaniline Crystals. The Journal of Physical Chemistry A, 113 (34). 9527-9532 doi:10.1021/jp904318q
Pozzi, C.G., Fantoni, A.C., Punte, G., Goeta, A.E. (2009) Role of the hydrogen bonds in nitroanilines′ aggregation: Charge density study of m-nitroaniline. Chemical Physics, 358. 68-74 doi:10.1016/j.chemphys.2008.12.020
Pozzi, C. G., Goeta, A. E., Punte, G., de Matos Gomes, E., Belsley, M., McIntyre, G. J. (2005) Neutron diffraction study of 4-nitroaniline at 100 K. Acta Crystallographica Section A Foundations of Crystallography, 61. doi:10.1107/s0108767305083327
Pozzi, C. Gustavo, Goeta, Andrés E., Autino, Juan C., Punte, Graciela (2003) 3-Ethoxycarbonyl-4-hydroxy-6-(methoxymethoxy)-1-methyl-2-quinolone. Acta Crystallographica Section E Structure Reports Online, 59 (8) doi:10.1107/s1600536803016192
Goeta, Andrés E., Wilson, Chick C., Autino, Juan C., Ellena, Javier, Punte, Graciela (2000) Hydrogen Bonding in Nitroanilines:  Neutron Diffraction Study ofm-Nitroaniline at 100 K. Chemistry of Materials, 12. 3342-3346 doi:10.1021/cm001092u
Ellena, Javier, Goeta, Andrés E., Howard, Judith A. K., Punte, Graciela (2001) Role of the Hydrogen Bonds in Nitroanilines Aggregation:  Charge Density Study of 2-Methyl-5-nitroaniline. The Journal of Physical Chemistry A, 105 (38). 8696-8708 doi:10.1021/jp010688h
Echeverría, Gustavo A., Goeta, Andrés, Barón, Máximo, Punte, Graciela (2003) trans-1,4-Dibromocyclohexane-1,4-dicarboxylic acid. Acta Crystallographica Section E Structure Reports Online, 59 (7) doi:10.1107/s160053680301239x
Ellena, Javier, Goeta, Andrés E., Howard, Judith A. K., Wilson, Chick C., Autino, Juan C., Punte, Graciela (1999) Experimental evidence for the amino-group non-planarity in nitroanilines: neutron diffraction study of 2-methyl-5-nitroaniline at 100 K. Acta Crystallographica Section B Structural Science, 55 (2) 209-215 doi:10.1107/s0108768198010349
García-Reyes, Fernando, Fantoni, Adolfo C., Barón, Máximo, Romano, Rosana M., Punte, Graciela M., Echeverría, Gustavo A. (2018) Role of weak C—H..O and strong N—H..O intermolecular interactions on the high-symmetry molecular packing of trans-cyclohexane-1,4-dicarboxamide. Acta Crystallographica Section C Structural Chemistry, 74 (10). 1068-1078 doi:10.1107/s2053229618011750
Saeed, Aamer, Khurshid, Asma, Jasinski, Jerry P., Pozzi, C. Gustavo, Fantoni, Adolfo C., Erben, Mauricio F. (2014) Competing intramolecular NHOC hydrogen bonds and extended intermolecular network in 1-(4-chlorobenzoyl)-3-(2-methyl-4-oxopentan-2-yl) thiourea analyzed by experimental and theoretical methods. Chemical Physics, 431. 39-46 doi:10.1016/j.chemphys.2014.01.009
Bernini, Maria C., Brusau, Elena V., Narda, Griselda E., Echeverria, Gustavo E., Pozzi, C. Gustavo, Punte, Graciela, Lehmann, Christian W. (2007) The Effect of Hydrothermal and Non-Hydrothermal Synthesis on the Formation of Holmium(III) Succinate Hydrate Frameworks. European Journal of Inorganic Chemistry, 2007 (5) 684-693 doi:10.1002/ejic.200600860
 
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