F. Palazzetti

发表

Quadrilaterals on the square screen of their diagonals: Regge symmetries of quantum mechanical spin networks and Grashof classical mechanisms of four-bar linkages

A. Bitencourt, M. Ragni, V. Aquilanti, 2019, Rendiconti Lincei. Scienze Fisiche e Naturali.

Temperature dependence of rate constants for the H(D) + CH4 reaction in gas and aqueous phase: deformed Transition-State Theory study including quantum tunneling and diffusion effects

Flávio O. Sanches-Neto, N. D. Coutinho, V. H. Carvalho-Silva, 2019, Structural Chemistry.

The ORCHID project: a search for the Origin of Chiral Discrimination**

F. Pirani, A. Lombardi, King‐Chuen Lin, 2019 .

Rate constants and first-principles trajectories for attack at tetrahedral carbon: Role of molecular orientation on chiral selectivity

A. Lombardi, N. D. Coutinho, V. H. Carvalho-Silva, 2019, PROCEEDINGS OF THE INTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING 2019 (ICCMSE-2019).

The astrochemical observatory: The interaction between helium and the chiral molecule propylene oxide

V. Aquilanti, F. Pirani, A. Lombardi, 2018 .

Collisions of chiral molecules theoretical aspects and experiments

V. Aquilanti, A. Lombardi, G. Grossi, 2018 .

Vectorial imaging of the photodissociation of 2-bromobutane oriented via hexapolar state selection.

V. Aquilanti, A. Lombardi, King‐Chuen Lin, 2019, Physical chemistry chemical physics : PCCP.

Rotational state-selection and alignment of chiral molecules by electrostatic hexapoles

A. Lombardi, King‐Chuen Lin, F. Palazzetti, 2016, 1701.07315.

Stereodirectional photodynamics: Experimental and theoretical perspectives

A. Lombardi, King‐Chuen Lin, F. Palazzetti, 2016, 1702.00618.

Stereodynamics: From elementary processes to macroscopic chemical reactions

V. Aquilanti, King‐Chuen Lin, F. Palazzetti, 2015 .

Potential Energy Surfaces for Noble Gas (Ar, Kr, Xe, Rn)-Propylene Oxide Systems: Analytical Formulation and Binding

F. Pirani, A. Marrone, F. Palazzetti, 2022, Symmetry.

Effective Four-Center Model for the Photodissociation Dynamics of Methyl Formate

Andrea Lombardi, Federico Palazzetti, Po-Yu Tsai, 2014, ICCSA.

Photodissociation of methyl formate: Conical intersections, roaming and triple fragmentation

V. Aquilanti, A. Lombardi, King‐Chuen Lin, 2015 .

TD-DFT Benchmark on Inorganic Pt(II) and Ir(III) Complexes.

V. Barone, C. Latouche, D. Skouteris, 2015, Journal of chemical theory and computation.

A Quantum Chemical Approach for the Characterization of the Interaction Potential of Propylene Oxide with Rare-Gas Atoms (He, Ne, Ar)

Alessandra F. Albernaz, F. Pirani, F. Palazzetti, 2021, 2104.13670.

Hyperspherical and related views of the dynamics of nanoclusters

V. Aquilanti, A. Lombardi, G. Grossi, 2009 .

Stereodynamic Imaging of Bromine Atomic Photofragments Eliminated from 1-Bromo-2-Methylbutane Oriented via Hexapole State Selector.

V. Aquilanti, King‐Chuen Lin, F. Palazzetti, 2019, The journal of physical chemistry. A.

Gas phase Boudouard reactions involving singlet–singlet and singlet–triplet CO vibrationally excited states: implications for the non-equilibrium vibrational kinetics of CO/CO2 plasmas

Alessandra F. Albernaz, V. Aquilanti, A. Lombardi, 2017 .

The spherical-harmonics representation for the interaction between diatomic molecules: The general case and applications to COCO and COHF

Alessandra F. Albernaz, R. L. Barreto, G. S. Maciel, 2017, 1706.01049.

Orientation of Chiral Molecules by External Electric Fields: Focus on Photodissociation Dynamics

F. Palazzetti, Po-Yu Tsai, 2022, Symmetry.

Rovibrationally Excited Molecules on the Verge of a Triple Breakdown: Molecular and Roaming Mechanisms in the Photodecomposition of Methyl Formate.

V. Aquilanti, A. Lombardi, King‐Chuen Lin, 2016, The journal of physical chemistry. A.

High-Accuracy Vibrational Computations for Transition-Metal Complexes Including Anharmonic Corrections: Ferrocene, Ruthenocene, and Osmocene as Test Cases.

V. Barone, C. Latouche, D. Skouteris, 2014, Journal of chemical theory and computation.

Advances in non-equilibrium $$\hbox {CO}_2$$ plasma kinetics: a theoretical and experimental review

V. Aquilanti, E. Kustova, A. Bogaerts, 2021, The European Physical Journal D.

Models of Aged Magnesium–Silicate–Hydrate Cements Based on the Lizardite and Talc Crystals: A Periodic DFT-GIPAW Investigation

V. Barone, F. Palazzetti, A. Pedone, 2017 .

Roaming signature in photodissociation of carbonyl compounds

V. Aquilanti, A. Lombardi, F. Palazzetti, 2018 .

Stereodirectional images of molecules oriented by a variable-voltage hexapolar field: Fragmentation channels of 2-bromobutane electronically excited at two photolysis wavelengths.

Dock-Chil Che, Vincenzo Aquilanti, Andrea Lombardi, 2017, The Journal of chemical physics.

Hexapole-Oriented Asymmetric-Top Molecules and Their Stereodirectional Photodissociation Dynamics.

V. Aquilanti, A. Lombardi, F. Palazzetti, 2016, The journal of physical chemistry. A.

Transient isomers in the photodissociation of bromoiodomethane.

R. Neutze, D. van der Spoel, Q. Kong, 2018, The Journal of chemical physics.

Chirality in molecular collision dynamics

Andrea Lombardi, Federico Palazzetti, A. Lombardi, 2018, Journal of physics. Condensed matter : an Institute of Physics journal.

Aligned molecular collisions and a stereodynamical mechanism for selective chirality

Vincenzo Aquilanti, Gaia Grossi, Andrea Lombardi, 2011 .

Alignment and Chirality in Gaseous Flows

G. S. Maciel, V. Aquilanti, A. Lombardi, 2010 .

Simulation of oriented collision dynamics of simple chiral molecules

Vincenzo Aquilanti, Andrea Lombardi, Federico Palazzetti, 2011 .

A quantum chemical study of H2S2: Intramolecular torsional mode and intermolecular interactions with rare gases.

Vincenzo Aquilanti, Andrea Lombardi, Federico Palazzetti, 2008, The Journal of chemical physics.

Double photoionization of propylene oxide: A coincidence study of the ejection of a pair of valence-shell electrons.

Stefano Falcinelli, Fernando Pirani, Vincenzo Aquilanti, 2018, The Journal of chemical physics.

Electrostatic hexapole state-selection of the asymmetric-top molecule propylene oxide.

Dock-Chil Che, Vincenzo Aquilanti, Federico Palazzetti, 2010, The journal of physical chemistry. A.

Control of conformers combining cooling by supersonic expansion of seeded molecular beams with hexapole selection and alignment: experiment and theory on 2-butanol.

Dock-Chil Che, Vincenzo Aquilanti, Federico Palazzetti, 2014, Physical chemistry chemical physics : PCCP.

EXPLORING A CHEMICAL ROUTE FOR THE FORMATION OF STABLE ANIONS OF POLYYNES [CnH− (n = 2, 4)] IN MOLECULAR CLOUDS

R. Wester, M. Mendolicchio, V. Barone, 2016 .

Electrostatic hexapole state-selection of the asymmetric-top molecule propylene oxide: Rotational and orientational distributions☆

Dock-Chil Che, Vincenzo Aquilanti, Federico Palazzetti, 2012 .

Collisional autoionization dynamics of Ne∗(3P2,0)–H2O

F. Pirani, N. Balucani, F. Palazzetti, 2012 .

Dynamical, spectroscopic and computational imaging of bond breaking in photodissociation: roaming and role of conical intersections.

Vincenzo Aquilanti, Andrea Lombardi, Federico Palazzetti, 2015, Faraday discussions.

Roads leading to roam. Role of triple fragmentation and of conical intersections in photochemical reactions: experiments and theory on methyl formate.

Vincenzo Aquilanti, Andrea Lombardi, Federico Palazzetti, 2014, Physical chemistry chemical physics : PCCP.

Potential Energy Surfaces for Water Interacting with Heteronuclear Diatomic Molecules: H2O–HF as a Case Study

C. Caglioti, F. Palazzetti, 2021 .

Potential energy surfaces for interactions of H2O with H2, N2 and O2: A hyperspherical harmonics representation, and a minimal model for the H2O–rare-gas-atom systems☆

Alessandra F. Albernaz, Vincenzo Aquilanti, Gaia Grossi, 2012 .

Resveratrol Supported on Magnesium DiHydroxide (Resv@MDH) Represents an Oral Formulation of Resveratrol With Better Gastric Absorption and Bioavailability Respect to Pure Resveratrol

Roberto Spogli, R. Iannitti, C. Caglioti, 2020, Frontiers in Nutrition.

Directions of chemical change: experimental characterization of the stereodynamics of photodissociation and reactive processes.

Dock-Chil Che, Vincenzo Aquilanti, Federico Palazzetti, 2014, Physical chemistry chemical physics : PCCP.

Advances in non-equilibrium CO2 plasma kinetics: a theoretical and experimental review

V. Aquilanti, E. Kustova, A. Lombardi, 2021 .

Hyperspherical representation of potential energy surfaces: intermolecular interactions in tetra-atomic and penta-atomic systems

Alessandra F. Albernaz, Vincenzo Aquilanti, Gaia Grossi, 2011 .

Quantum chemistry of C(3)H(6)O molecules: structure and stability, isomerization pathways, and chirality changing mechanisms.

Vincenzo Aquilanti, Andrea Lombardi, Federico Palazzetti, 2010, The journal of physical chemistry. A.

Aligned molecules: chirality discrimination in photodissociation and in molecular dynamics

Dock-Chil Che, Vincenzo Aquilanti, Andrea Lombardi, 2013, Rendiconti Lincei.

Molecular alignment and chirality in gaseous streams and vortices

Vincenzo Aquilanti, Gaia Grossi, Andrea Lombardi, 2013, Rendiconti Lincei.

Few-body quantum and many-body classical hyperspherical approaches to reactions and to cluster dynamics

A. Lombardi, F. Palazzetti, L. Peroncelli, 2007 .

Photodissociation Dynamics of CO-Forming Channels on the Ground-State Surface of Methyl Formate at 248 nm: Direct Dynamics Study and Assessment of Generalized Multicenter Impulsive Models.

F. Palazzetti, Po-Yu Tsai, 2021, The journal of physical chemistry. A.

Nucleophilic substitution vs elimination reaction of bisulfide ions with substituted methanes: exploration of chiral selectivity by stereodirectional first-principles dynamics and transition state theory

A. Lombardi, N. D. Coutinho, V. H. Carvalho-Silva, 2019, Journal of Molecular Modeling.

Focus on the Use of Resveratrol in Bladder Cancer

C. Caglioti, F. Palazzetti, A. Pastore, 2023, International journal of molecular sciences.

Range and strength of intermolecular forces for van der Waals complexes of the type H2Xn-Rg, with X = O, S and n = 1,2

Gaia Grossi, Andrea Lombardi, Federico Palazzetti, 2010 .

A Minimal Model of Potential Energy Surface for the CO2 - CO System

Noelia Faginas Lago, Federico Palazzetti, Concetta Caglioti, 2021, ICCSA.

UV-Photodissociation of Halothane in a Focused Molecular Beam: Space-Speed Slice-Imaging of Competitive Bond Breaking into Spin-Orbit Selected Chlorine and Bromine Atoms.

V. Aquilanti, F. Palazzetti, T. Kasai, 2020, Journal of Physical Chemistry A.

The Increase of the Reactivity of Molecular Hydrogen with Hydroxyl Radical from the Gas Phase versus an Aqueous Environment: Quantum Chemistry and Transition State-Theory Calculations

Vincenzo Aquilanti, Andrea Lombardi, Federico Palazzetti, 2019, ICCSA.

Space – and – speed Slice Imaging of Molecular Photodissociation: Stereodirectionality and Chirality

V. Aquilanti, A. Lombardi, F. Palazzetti, 2020 .

Potential energy surfaces for van der waals complexes of rare gases with H2S and H2S2: Extension to xenon interactions and hyperspherical harmonics representation

Alessandra F. Albernaz, Federico Palazzetti, F. Palazzetti, 2012 .

Spherical and hyperspherical representation of potential energy surfaces for intermolecular interactions

Vincenzo Aquilanti, Gaia Grossi, Andrea Lombardi, 2011 .

Acetone-Water Mixtures: Molecular Dynamics Using a Semiempirical Intermolecular Potential

Noelia Faginas Lago, Andrea Lombardi, Federico Palazzetti, 2017, ICCSA.

Hyperspherical coordinates and energy partitions for reactive processes and clusters

Andrea Lombardi, Federico Palazzetti, A. Lombardi, 2019, PROCEEDINGS OF THE INTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING 2019 (ICCMSE-2019).

Screen representation of structural properties of alanine in polypeptide chains

Vincenzo Aquilanti, Andrea Lombardi, Federico Palazzetti, 2019, PROCEEDINGS OF THE INTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING 2019 (ICCMSE-2019).

Molecular Dynamics of Chiral Molecules in Hyperspherical Coordinates

Vincenzo Aquilanti, Andrea Lombardi, Federico Palazzetti, 2019, ICCSA.

Screens Displaying Structural Properties of Aminoacids in Polypeptide Chains: Alanine as a Case Study

Vincenzo Aquilanti, Andrea Lombardi, Federico Palazzetti, 2019, ICCSA.

Carbon Oxides in Gas Flows and Earth and Planetary Atmospheres: State-to-State Simulations of Energy Transfer and Dissociation Reactions

Antonio Laganà, Noelia Faginas Lago, Fernando Pirani, 2013, ICCSA.

A comparison of interatomic potentials for rare gas nanoaggregates

Andrea Lombardi, Federico Palazzetti, A. Lombardi, 2008 .

Potential Energy Surface for the Interaction of Helium with the Chiral Molecule Propylene Oxide

Noelia Faginas Lago, Fernando Pirani, Patrícia R. P. Barreto, 2018, ICCSA.

The Astrochemical Observatory: Experimental and Computational Focus on the Chiral Molecule Propylene Oxide as a Case Study

Fernando Pirani, Vincenzo Aquilanti, Andrea Lombardi, 2017, ICCSA.