Quantum Chemistry of C3H6O Molecules: Structure and Stability, Isomerization Pathways, and Chirality Changing Mechanisms
Elango, Munusamy, Maciel, Glauciete S, Palazzetti, Federico, Lombardi, Andrea, Aquilanti, Vincenzo
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (16.09.2010)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (16.09.2010)
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Journal Article
Level distributions, partition functions, and rates of chirality changing processes for the torsional mode around O-O bonds
Bitencourt, Ana C P, Ragni, Mirco, Maciel, Glauciete S, Aquilanti, Vincenzo, Prudente, Frederico V
Published in The Journal of chemical physics (21.10.2008)
Published in The Journal of chemical physics (21.10.2008)
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Journal Article
The origin of chiral discrimination: supersonic molecular beam experiments and molecular dynamics simulations of collisional mechanisms
Aquilanti, Vincenzo, Grossi, Gaia, Lombardi, Andrea, Maciel, Glauciete S, Palazzetti, Federico
Published in Physica scripta (01.10.2008)
Published in Physica scripta (01.10.2008)
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Journal Article
Quantum Study of Peroxidic Bonds and Torsional Levels for ROOR‘ Molecules (R, R‘ = H, F, Cl, NO, CN)
Maciel, Glauciete S, Bitencourt, Ana Carla P, Ragni, Mirco, Aquilanti, Vincenzo
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (13.12.2007)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (13.12.2007)
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Journal Article
Alignment and Chirality in Gaseous Flows
LOMBARDI, Andrea, MACIEL, Glauciete S., PALAZZETTI, Federico, GROSSI, Gaia, AQUILANTI, Vincenzo
Published in Journal of the Vacuum Society of Japan (2010)
Published in Journal of the Vacuum Society of Japan (2010)
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Journal Article
Control of conformers combining cooling by supersonic expansion of seeded molecular beams with hexapole selection and alignment: experiment and theory on 2-butanol
Palazzetti, Federico, Maciel, Glauciete S, Kanda, Keita, Nakamura, Masaaki, Che, Dock-Chil, Kasai, Toshio, Aquilanti, Vincenzo
Published in Physical chemistry chemical physics : PCCP (07.06.2014)
Published in Physical chemistry chemical physics : PCCP (07.06.2014)
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Journal Article
A quantum chemical study of H2S2: Intramolecular torsional mode and intermolecular interactions with rare gases
Maciel, Glauciete S, Barreto, Patricia R P, Palazzetti, Federico, Lombardi, Andrea, Aquilanti, Vincenzo
Published in The Journal of chemical physics (28.10.2008)
Published in The Journal of chemical physics (28.10.2008)
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Journal Article
The Hydrogen Peroxide−Rare Gas Systems: Quantum Chemical Calculations and Hyperspherical Harmonic Representation of the Potential Energy Surface for Atom−Floppy Molecule Interactions
Barreto, Patricia R. P, Vilela, Alessandra F. A, Lombardi, Andrea, Maciel, Glauciete S, Palazzetti, Federico, Aquilanti, Vincenzo
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (13.12.2007)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (13.12.2007)
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Journal Article
Studies of the dynamics around the O–O bond: Orthogonal local modes of hydrogen peroxide
Maciel, Glauciete S., Bitencourt, Ana Carla P., Ragni, Mirco, Aquilanti, Vincenzo
Published in Chemical physics letters (11.12.2006)
Published in Chemical physics letters (11.12.2006)
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Journal Article
Aligned molecular collisions and a stereodynamical mechanism for selective chirality
Aquilanti, Vincenzo, Grossi, Gaia, Lombardi, Andrea, Maciel, Glauciete S., Palazzetti, Federico
Published in Atti della Accademia nazionale dei Lincei. Rendiconti Lincei. Scienze fisiche e naturali (01.06.2011)
Published in Atti della Accademia nazionale dei Lincei. Rendiconti Lincei. Scienze fisiche e naturali (01.06.2011)
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Journal Article
Quantum chemical and dynamical approaches to intra and intermolecular kinetics: The CnH2nO (n = 1, 2, 3) molecules
Elango, Munusamy, Maciel, Glauciete S., Lombardi, Andrea, Cavalli, Simonetta, Aquilanti, Vincenzo
Published in International journal of quantum chemistry (01.06.2011)
Published in International journal of quantum chemistry (01.06.2011)
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Journal Article
Intramolecular Dynamics of RS−SR′ Systems (R, R′ = H, F, Cl, CH3, C2 H5): Torsional Potentials, Energy Levels, Partition Functions
Aquilanti, Vincenzo, Ragni, Mirco, Bitencourt, Ana C. P, Maciel, Glauciete S, Prudente, Frederico V
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (23.04.2009)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (23.04.2009)
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Journal Article
Control of conformers combining cooling by supersonic expansion of seeded molecular beams with hexapole selection and alignment: experiment and theory on 2-butanolElectronic supplementary information (ESI) available. See DOI: 10.1039/c3cp54475c
Palazzetti, Federico, Maciel, Glauciete S, Kanda, Keita, Nakamura, Masaaki, Che, Dock-Chil, Kasai, Toshio, Aquilanti, Vincenzo
Year of Publication 06.05.2014
Year of Publication 06.05.2014
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Journal Article
The spherical-harmonics representation for the interaction between diatomic molecules: The general case and applications to CO CO and CO HF
Barreto, Patricia R.P., Cruz, Ana Claudia P.S., Barreto, Rodrigo L.P., Palazzetti, Federico, Albernaz, Alessandra F., Lombardi, Andrea, Maciel, Glauciete S., Aquilanti, Vincenzo
Published in Journal of molecular spectroscopy (01.07.2017)
Published in Journal of molecular spectroscopy (01.07.2017)
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Journal Article
The spherical-harmonics representation for the interaction between diatomic molecules: The general case and applications to COCO and COHF
Barreto, Patricia R.P., Cruz, Ana Claudia P.S., Barreto, Rodrigo L.P., Palazzetti, Federico, Albernaz, Alessandra F., Lombardi, Andrea, Maciel, Glauciete S., Aquilanti, Vincenzo
Published in Journal of molecular spectroscopy (01.07.2017)
Published in Journal of molecular spectroscopy (01.07.2017)
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Journal Article
Quantum Chemistry of C 3 H 6 O Molecules: Structure and Stability, Isomerization Pathways, and Chirality Changing Mechanisms
Elango, Munusamy, Maciel, Glauciete S., Palazzetti, Federico, Lombardi, Andrea, Aquilanti, Vincenzo
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (16.09.2010)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (16.09.2010)
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Journal Article