Ab-initio and DFT calculations on molecular structure, NBO, HOMO–LUMO study and a new vibrational analysis of 4-(Dimethylamino) Benzaldehyde
Rocha, Mariana, Di Santo, Alejandro, Arias, Juan Marcelo, Gil, Diego M., Altabef, Aída Ben
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (05.02.2015)
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (05.02.2015)
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Journal Article
Conformational and Vibrational Analysis of Methyl Methanesulfonate, CH3SO2OCH3
Tuttolomondo, María E, Navarro, Amparo, Peña, Tomás, Varetti, Eduardo L, Parker, Stewart F, Ben Altabef, Aída
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (23.07.2009)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (23.07.2009)
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Journal Article
Insecticidal Properties of Annonaceous Acetogenins and Their Analogues. Interaction with Lipid Membranes
Blessing, Lilian Di Toto, Ramos, Juan, Diaz, Sonia, Altabef, Aída Ben, Bardón, Alicia, Brovetto, Margarita, Seoane, Gustavo, Neske, Adriana
Published in Natural product communications (01.09.2012)
Published in Natural product communications (01.09.2012)
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Journal Article
Determination of the main solid-state form of albendazole in bulk drug, employing Raman spectroscopy coupled to multivariate analysis
Calvo, Natalia L., Arias, Juan M., Altabef, Aída Ben, Maggio, Rubén M., Kaufman, Teodoro S.
Published in Journal of pharmaceutical and biomedical analysis (10.09.2016)
Published in Journal of pharmaceutical and biomedical analysis (10.09.2016)
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Journal Article
Biofilm inhibition by a new Mn(II) complex with sulfamethoxazole: Synthesis, spectroscopic characterization and crystal structure
Di Santo, Alejandro, Gil, Diego M., Pomiro, Fernando, Piro, Oscar E., Echeverría, Gustavo A., Arena, Mario, Luciardi, Constanza, Carbonio, Raúl E., Altabef, Aída Ben
Published in Inorganica Chimica Acta (01.09.2015)
Published in Inorganica Chimica Acta (01.09.2015)
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Journal Article
Vibrational studies (FTIR and Raman), conformational analysis, NBO, HOMO–LUMO and reactivity descriptors of S-methyl thiobutanoate, CH3CH2CH2C(O)SCH3
Gil, Diego M., Tuttolomondo, María Eugenia, Ben Altabef, Aída
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (05.10.2015)
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (05.10.2015)
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Journal Article
Gas-phase structure of 2,2,2-trichloroethyl chloroformate studied by electron diffraction and quantum-chemical calculations
Gil, Diego M, Tuttolomondo, María E, Blomeyer, Sebastian, Reuter, Christian G, Mitzel, Norbert W, Altabef, Aída Ben
Published in Physical chemistry chemical physics : PCCP (07.01.2016)
Published in Physical chemistry chemical physics : PCCP (07.01.2016)
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Journal Article
Layered crystal structure, conformational and vibrational properties of 2,2,2-trichloroethoxysulfonamide: An experimental and theoretical study
Gil, Diego M., Piro, Oscar E., Echeverría, Gustavo A., Tuttolomondo, María E., Altabef, Aída Ben
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (01.12.2013)
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (01.12.2013)
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Journal Article
Structure and bonding of 2,2,2-trichloroethylacetate: An experimental gas phase and computational study
Blomeyer, Sebastian, Reuter, Christian G., Gil, Diego M., Tuttolomondo, María E., Altabef, Aída Ben, Mitzel, Norbert W.
Published in Zeitschrift für Naturforschung. B, A journal of chemical sciences (01.12.2016)
Published in Zeitschrift für Naturforschung. B, A journal of chemical sciences (01.12.2016)
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Journal Article
Combined Experimental Studies and Theoretical Calculations To Yield the Complete Molecular Structure and Vibrational Spectra of (CH3)3GeH
Roldán, María L, Brandán, Silvia A, Masters (née Hinchley), Sarah L, Wann, Derek A, Robertson, Heather E, Rankin, David W. H, Altabef, Aída Ben
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (30.04.2009)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (30.04.2009)
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Journal Article
Gas-phase structure and new vibrational study of methyl trifluoroacetate (CF3C(O)OCH3)
Defonsi Lestard, María E., Tuttolomondo, María E., Varetti, Eduardo L., Wann, Derek A., Robertson, Heather E., Rankin, David W. H., Ben Altabef, Aida
Published in Journal of Raman spectroscopy (01.12.2009)
Published in Journal of Raman spectroscopy (01.12.2009)
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Journal Article
Exploring weak intermolecular interactions in thiocyanate-bonded Zn(ii) and Cd(ii) complexes with methylimidazole: crystal structures, Hirshfeld surface analysis and luminescence properties
Di Santo, Alejandro, Pérez, Hiram, Echeverría, Gustavo A, Piro, Oscar E, Iglesias, Rodrigo A, Carbonio, Raúl E, Ben Altabef, Aida, Gil, Diego M
Published in RSC advances (01.01.2018)
Published in RSC advances (01.01.2018)
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Journal Article
Novel 'main-part' isostructuralism in metal complexes with 1-methylimidazole: crystal structures, energy calculations and magnetic properties
Pérez, Hiram, Di Santo, Alejandro, Piro, Oscar E, Echeverría, Gustavo A, González, Marlene, Ben Altabef, Aida, Gomila, Rosa M, Frontera, Antonio, Gil, Diego M
Published in Dalton transactions : an international journal of inorganic chemistry (30.11.2021)
Published in Dalton transactions : an international journal of inorganic chemistry (30.11.2021)
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Journal Article
FTIR spectroscopy of chronic venous leg ulcer exudates: an approach to spectral healing marker identification
Cerusico, Nicolas, Aybar, Juan P, Lopez, Silvana, Molina, Silvia G, Chavez Jara, Romina, Sesto Cabral, Maria Eugenia, Valdez, Juan C, Ben Altabef, Aida, Ramos, Alberto N
Published in Analyst (London) (26.03.2018)
Published in Analyst (London) (26.03.2018)
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