Search Results - "Lago, Alexsandre F."

Destruction and multiple ionization of PAHs by X-rays in circumnuclear regions of AGNs by Monfredini, Thiago, Quitián-Lara, Heidy M, Fantuzzi, Felipe, Wolff, Wania, Mendoza, Edgar, Lago, Alexsandre F, Sales, Dinalva A, Pastoriza, Miriani G, Boechat-Roberty, Heloisa M

“…ABSTRACT The infrared signatures of polycyclic aromatic hydrocarbons (PAHs) are observed in a variety of astrophysical objects, including the circumnuclear…”
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VUV-Induced Photodissociation of the Chloroacetone Molecule Studied by Photoelectron-Photoion Coincidence Spectroscopy by Rogério, Diego de O, Cavasso-Filho, Reinaldo L, Lago, Alexsandre F

“…The dissociative photoionization dynamics of the chloroacetone molecule (C3H5OCl) in the gas phase, induced by vacuum ultraviolet (VUV) synchrotron radiation…”
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Investigation of the molecular structure and VUV‐induced ion dissociation dynamics of 2‐azetidinone (C3H5NO) by Lago, Alexsandre F., Rogério, Diego O., Farias, Dayane B., Cavasso‐Filho, Reinaldo L., Dávalos, Juan Z.

“…Rationale The class of active components of the group of β‐lactam antibiotics is very important for several fields and applications, although their stability…”
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Experimental and Computational Studies on the Gas-Phase Acidity of 5,5-Dialkyl Barbituric Acids by Dávalos-Prado, Juan Z, González, Javier, Oliva-Enrich, Josep M, Urrunaga, Emma J, Lago, Alexsandre F

“…The gas phase acidities (GA) of 5,5-alkylbarbituric acids have been experimentally determined by electrospray ionization-triple quadrupole (ESI-TQ) mass…”
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Energetics and structural properties of neutral and deprotonated phenyl carbinols by Dávalos, Juan Z., Guerrero, Andrés, Valderrama-Negrón, Ana C., Romero, Violeta, Lago, Alexsandre F.

“…•We determined ΔfHm0(g) of neutral and deprotonated (in the OH group) phenyl-carbinols.•DFT/M05-2X is a good method to estimate ΔfHm0(g) and GA values for…”
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Neutral, Ion Gas-Phase Energetics and Structural Properties of Hydroxybenzophenones by Dávalos, Juan Z, Guerrero, Andrés, Herrero, Rebeca, Jimenez, Pilar, Chana, Antonio, Abboud, José Luis M, Lima, Carlos F. R. A. C, Santos, Luís M. N. B. F, Lago, Alexsandre F

“…We have carried out a study of the energetics, structural, and physical properties of o-, m-, and p-hydroxybenzophenone neutral molecules, C13H10O2, and their…”
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Thermochemical and structural properties of DMAN-“proton sponges” by Dávalos, Juan Z., Lago, Alexsandre F., Costa, José C.S., Santos, Luís M.N.B.F., González, Javier

“…[Display omitted] ► We determined the enthalpy of formation ΔfHmo(g) of neutral and protonated DMAN. ► It has been estimated the “strain” effect and hydrogen…”
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Intrinsic (gas-phase) acidity and basicity of paracetamol by Dávalos, Juan Z., González, Javier, Ramos, Rocío, Guerrero, Andrés, Lago, Alexsandre F.

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Neutral and cation 1,2-dichloropropane molecular structures and energies investigated by DFT and ab initio methods by Rogério, Diego de O., Lago, Alexsandre F.

“…[Display omitted] •The molecular structures of the neutral and cation 1,2-dichloropropane (C3H6Cl2) have been studied.•Three stable conformations have been…”
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Investigation of the neutral and cation chloroacetone molecular structures and spectroscopic properties by ab initio and density functional theory methods by Rogério, Diego de Oliveira, Lago, Alexsandre F.

“…A theoretical study on the structural, electronic and spectroscopic properties for the isolated chloroacetone (C3H5OCl) and its molecular cation was performed…”
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Gas-phase proton affinity and basicity of hydroxybenzophenones by Carlos, Luis R., Loro, Héctor, Lago, Alexsandre F., Dávalos, Juan Z.

“…[Display omitted] •Experimental gas phase Proton Affinity (PA) and Basicity (GB) of hydroxybenzophenones.•PA (and GB) experimental values are consistent with…”
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Characterization of organic isomers: CID fragmentation technique on protonated hydroxybenzophenone isomers by Dávalos, Juan Z., Carlos, Luis R., Loro, Héctor R., Lago, Alexsandre F.

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Destruction and multiple ionization of PAHs by X-rays in circumnuclear regions of AGNs by Monfredini, Thiago, Quitián-Lara, Heidy M, Fantuzzi, Felipe, Wolff, Wania, Mendoza, Edgar, Lago, Alexsandre F, Sales, Dinalva A, Pastoriza, Miriani G, Boechat-Roberty, Heloisa M

“…The infrared signatures of polycyclic aromatic hydrocarbons (PAHs) are observed in a variety of astrophysical objects, including the circumnuclear medium of…”
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