Lista de obras - Fernando Pirani - Dominio Público Uruguay

A 3D-analysis of cluster formation and dynamics of the X(-)-benzene (X = F, Cl, Br, I) ionic dimer solvated by Ar atoms.

artículo científico

A Generalized Formulation of Ion−π Electron Interactions: Role of the Nonelectrostatic Component and Probe of the Potential Parameter Transferability ⬇️

artículo científico publicado el 11 de noviembre de 2010

A bond-bond description of the intermolecular interaction energy: the case of the weakly bound acetylene-hydrogen complex

scientific article published on 01 December 2009

A bond-bond description of the intermolecular interaction energy: the case of weakly bound N(2)-H(2) and N(2)-N(2) complexes.

artículo científico publicado en 2008

A combined experimental and theoretical investigation of Cs+ ions solvated in HeN clusters

artículo científico publicado en 2019

A full dimensional grid empowered simulation of the CO2 + CO2 processes

artículo científico publicado en 2012

A global optimization perspective on molecular clusters.

artículo científico publicado en 2017

A model potential for acetonitrile: from small clusters to liquid

artículo científico publicado en 2013

A molecular dynamics investigation of rare-gas solvated cation-benzene clusters using a new model potential

artículo científico publicado en 2005

A portable intermolecular potential for molecular dynamics studies of NMA-NMA and NMA-H2O aggregates

artículo científico publicado en 2011

A simple and compact mechanical velocity selector of use to analyze/select molecular alignment in supersonic seeded beams

Adsorption of molecular hydrogen on coronene with a new potential energy surface

artículo científico publicado en 2017

Aggregation enhancement of coronene molecules by seeding with alkali-metal ions

scientific article published on 01 July 2019

Alkali-ion microsolvation with benzene molecules

artículo científico publicado en 2012

Angular and energy distribution of fragment ions in dissociative double photoionization of acetylene molecules at 39 eV

artículo científico publicado en 2012

Anisotropy of the angular distribution of fragment ions in dissociative double photoionization of N2O molecules in the 30-50 eV energy range

artículo científico publicado en 2007

Ar Solvation Shells in K+–HFBz: From Cluster Rearrangement to Solvation Dynamics ⬇️

artículo científico publicado el 19 de septiembre de 2011

Are micelles needed to form methane hydrates in sodium dodecyl sulfate solutions?

artículo científico publicado en 2012

Atom-bond pairwise additive representation for cation-benzene potential energy surfaces: An ab initio validation study

scientific article published on 01 July 2006

Atom-bond pairwise additive representation for halide-benzene potential energy surfaces: an ab initio validation study.

artículo científico publicado en 2009

Beyond the Lennard-Jones model: a simple and accurate potential function probed by high resolution scattering data useful for molecular dynamics simulations

artículo científico publicado en 2008

Carbon Dioxide Clathrate Hydrates: Selective Role of Intermolecular Interactions and Action of the SDS Catalyst ⬇️

artículo científico publicado el 16 de mayo de 2013

Catching the role of anisotropic electronic distribution and charge transfer in halogen bonded complexes of noble gases.

artículo científico publicado en 2015

Charge-displacement analysis of the interaction in the ammonia-noble gas complexes

artículo científico publicado en 2011

Charge-transfer energy in the water-hydrogen molecular aggregate revealed by molecular-beam scattering experiments, charge displacement analysis, and ab initio calculations

artículo científico publicado en 2010

Chirality of weakly bound complexes: the potential energy surfaces for the hydrogen-peroxide-noble-gas interactions

scientific article published on 01 October 2014

Closer versus Long Range Interaction Effects on the Non-Arrhenius Behavior of Quasi-Resonant O2 + N2 Collisions.

artículo científico publicado en 2017

Collision Integrals for Interactions Involving Atoms in Electronically Excited States†

artículo científico publicado en 2009

Collision cross sections, pressure-broadening coefficients and second virial coefficients for the acetylene-argon complex: experiments and calculations on a new potential energy surface

scientific article published on 01 September 2005

Collisionally aligned molecular beams: a tool for stereodynamical studies in the gas phase and at surfaces

Comparative investigation of pure and mixed rare gas atoms on coronene molecules.

artículo científico publicado en 2017

Competitive role of CH4-CH4 and CH-π interactions in C6H6-(CH4)n aggregates: the transition from dimer to cluster features

artículo científico publicado en 2012

Complexes of Alkali Metal Cations and Molecular Hydrogen: Potential Energy Surfaces and Bound States

artículo científico publicado en 2019

Dissociative double photoionization of CO2 molecules in the 36-49 eV energy range: angular and energy distribution of ion products

artículo científico publicado en 2010

Dissociative double photoionization of benzene molecules in the 26-33 eV energy range

artículo científico publicado en 2011

Dissociative double photoionization of singly deuterated benzene molecules in the 26-33 eV energy range

articulo cientifico

Double photoionization of CO2 molecules in the 34-50 eV energy range

scientific article published on 01 December 2009

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

artículo científico publicado en 2018

Efficiency of Collisional O2 + N2 Vibrational Energy Exchange.

artículo científico publicado en 2015

Energy transfer dynamics and kinetics of elementary processes (promoted) by gas-phase CO2 -N2 collisions: Selectivity control by the anisotropy of the interaction

artículo científico publicado en 2016

Enhanced Flexibility of the O2 + N2 Interaction and Its Effect on Collisional Vibrational Energy Exchange

artículo científico publicado en 2016

Experimental Evidence of Chemical Components in the Bonding of Helium and Neon with Neutral Molecules

article

Experimental and theoretical evidence of charge transfer in weakly bound complexes of water

artículo científico publicado en 2009

Experimental investigation of the reaction of helium ions with dimethyl ether: stereodynamics of the dissociative charge exchange process.

artículo científico publicado en 2017

Features of Ar Solvation Shells in Neutral and Ionic Clustering: The Competitive Role of Two-Body and Many-Body Interactions ⬇️

artículo científico publicado el 31 de mayo de 2011

From ar clustering dynamics to Ar solvation for Na+-benzene

scientific article published on 20 February 2007

Glory-scattering measurement of water-noble-gas interactions: the birth of the hydrogen bond

scientific article published on 01 April 2005

H2O-CH4 and H2S-CH4 complexes: a direct comparison through molecular beam experiments and ab initio calculations

artículo científico publicado en 2015

Helium Accepts Back-Donation In Highly Polar Complexes: New Insights into the Weak Chemical Bond.

artículo científico publicado en 2017

Inelastic rate coefficients based on an improved potential energy surface for N2 + N2 collisions in a wide temperature range

scientific article published on 20 April 2020

Interaction of O2 with CH4, CF4, and CCl4 by Molecular Beam Scattering Experiments and Theoretical Calculations

artículo científico publicado en 2016

Intermolecular interaction in the H2S-H2 complex: molecular beam scattering experiments and ab-inito calculations

artículo científico publicado en 2014

Intermolecular interaction in the NH3-H2 and H2O-H2 complexes by molecular beam scattering experiments: the role of charge transfer.

artículo científico publicado en 2013

Intermolecular interaction potentials for the Ar-C2H2, Kr-C2H2, and Xe-C2H2 weakly bound complexes: information from molecular beam scattering, pressure broadening coefficients, and rovibrational spectroscopy

scientific article published on 01 February 2007

Intermolecular interactions of H2S with rare gases from molecular beam scattering in the glory regime and from ab initio calculations

artículo científico publicado en 2006

Leading Interaction Components in the Structure and Reactivity of Noble Gases Compounds

scientific article published on 20 May 2020

Low-energy structures of benzene clusters with a novel accurate potential surface.

artículo científico publicado en 2015

Low-lying electronic states of HBr2+

scientific article published on 01 April 2004

Measurements of Ionization Cross Sections by Molecular Beam Experiments: Information Content on the Imaginary Part of the Optical Potential

artículo científico publicado en 2016

Methane production by CO2 hydrogenation reaction with and without solid phase catalysis

artículo científico publicado en 2017

Methanol-methanol and methanol-water systems: the intermolecular interactions controlling the transition from small clusters to the liquid phase.

artículo científico publicado en 2017

Microsolvation of the potassium ion with aromatic rings: comparison between hexafluorobenzene and benzene.

artículo científico publicado en 2013

Modelling Charge Transfer in Weak Chemical Bonds: Insights from the Chemistry of Helium

artículo científico publicado en 2018

Molecular Dynamics Simulations of Small Clusters and Liquid Hydrogen Sulfide at Different Thermodynamic Conditions

artículo científico publicado en 2016

Molecular-beam study of the ammonia-noble gas systems: characterization of the isotropic interaction and insights into the nature of the intermolecular potential

scientific article published on 01 November 2011

Molecular-beam study of the water-helium system: features of the isotropic component of the intermolecular interaction and a critical test for the available potential-energy surfaces

artículo científico publicado en 2005

New insights on the stereodynamics of ethylene adsorption on an oxygen-precovered silver surface

artículo científico publicado en 2005

Orientation of benzene in supersonic expansions, probed by IR-laser absorption and by molecular beam scattering.

artículo científico publicado en 2001

Penetration Barrier of Water through Graphynes' Pores: First-Principles Predictions and Force Field Optimization

artículo científico publicado en 2014

Penning Ionization Electron Spectroscopy of Hydrogen Sulfide by Metastable Helium and Neon Atoms

artículo científico publicado en 2014

Penning ionization of N2O molecules by He(2(3,1)S) and Ne(3P2,0) metastable atoms: a crossed beam study

artículo científico publicado en 2005

Penning ionization of N2O molecules by He(2(3,1)S) and Ne(3P2,0) metastable atoms: theoretical considerations about the intermolecular interactions

scientific article published on 01 April 2005

Quantum-State Controlled Reaction Channels in Chemi-ionization Processes: Radiative (Optical-Physical) and Exchange (Oxidative-Chemical) Mechanisms ⬇️

scientific article published on 15 September 2020

Revealing charge-transfer effects in gas-phase water chemistry

artículo científico publicado en 2012

Role of rotational alignment in dissociative chemisorption and oxidation: O2 on bare and CO-precovered Pd(100)

scientific article published on 01 October 2006

Scattering of rotationally aligned oxygen molecules and the measurement of anisotropies of van der Waals forces

artículo científico publicado en 1995

Selective Emergence of the Halogen Bond in Ground and Excited States of Noble-Gas-Chlorine Systems

artículo científico publicado en 2019

Selective production of reactive and nonreactive oxygen atoms on Pd(001) by rotationally aligned oxygen molecules

artículo científico publicado en 2009

Snowball formation for Cs+ solvation in molecular hydrogen and deuterium

artículo científico publicado en 2019

Stereodynamic Effects in the Adsorption of Ethylene onto a Metal Surface

artículo científico publicado en 2004

Stereodynamic Effects in the Adsorption of Propylene Molecules on Ag(001)

artículo científico publicado en 2005

Stereodynamics in the Collisional Autoionization of Water, Ammonia, and Hydrogen Sulfide with Metastable Rare Gas Atoms: Competition Between Intermolecular Halogen and Hydrogen Bonds.

artículo científico publicado en 2015

Stereoselectivity in Autoionization Reactions of Hydrogenated Molecules by Metastable Noble Gas Atoms: The Role of Electronic Couplings

artículo científico publicado en 2016

The Selective Role of Long-Range Forces in the Stereodynamics of Ion-Molecule Reactions: The He+ +Methyl Formate Case From Guided-Ion-Beam Experiments.

artículo científico publicado en 2017

The double photoionization of HCl: an ion-electron coincidence study

scientific article published on 01 December 2004

The double photoionization of hydrogen iodide molecules

artículo científico publicado en 2006

The effect of the intermolecular potential formulation on the state-selected energy exchange rate coefficients in N2-N2 collisions

artículo científico publicado en 2014

The intermolecular interaction in D2 - CX4 and O2 - CX4 (X = F, Cl) systems: Molecular beam scattering experiments as a sensitive probe of the selectivity of charge transfer component

artículo científico publicado en 2016

The intermolecular potential in NO-N2 and (NO-N2)+ systems: implications for the neutralization of ionic molecular aggregates

scientific article published on 27 August 2008

The role of charge transfer in the stability and reactivity of chemical systems from experimental findings

artículo científico publicado en 2017

The role of the long-range tail of the potential in O2 + N2 collisional inelastic vibrational energy transfers

scientific article published on 01 May 2017

The spontaneous synchronized dance of pairs of water molecules

artículo científico publicado en 2014

The stereo-dynamics of collisional autoionization of ammonia by helium and neon metastable excited atoms through molecular beam experiments

artículo científico publicado en 2015

The stereodynamics of the Penning ionization of water by metastable neon atoms

artículo científico publicado en 2013

Threshold-photoelectron-spectroscopy-coincidence study of the double photoionization of HBr

artículo científico publicado en 2004

Lista de obras de Fernando Pirani

A 3D-analysis of cluster formation and dynamics of the X(-)-benzene (X = F, Cl, Br, I) ionic dimer solvated by Ar atoms.

A Generalized Formulation of Ion−π Electron Interactions: Role of the Nonelectrostatic Component and Probe of the Potential Parameter Transferability ⬇️

A bond-bond description of the intermolecular interaction energy: the case of the weakly bound acetylene-hydrogen complex

A bond-bond description of the intermolecular interaction energy: the case of weakly bound N(2)-H(2) and N(2)-N(2) complexes.

A combined experimental and theoretical investigation of Cs+ ions solvated in HeN clusters

A full dimensional grid empowered simulation of the CO2 + CO2 processes

A global optimization perspective on molecular clusters.

A model potential for acetonitrile: from small clusters to liquid

A molecular dynamics investigation of rare-gas solvated cation-benzene clusters using a new model potential

A portable intermolecular potential for molecular dynamics studies of NMA-NMA and NMA-H2O aggregates

A simple and compact mechanical velocity selector of use to analyze/select molecular alignment in supersonic seeded beams

Adsorption of molecular hydrogen on coronene with a new potential energy surface

Aggregation enhancement of coronene molecules by seeding with alkali-metal ions

Alkali-ion microsolvation with benzene molecules

Angular and energy distribution of fragment ions in dissociative double photoionization of acetylene molecules at 39 eV

Anisotropy of the angular distribution of fragment ions in dissociative double photoionization of N2O molecules in the 30-50 eV energy range

Ar Solvation Shells in K+–HFBz: From Cluster Rearrangement to Solvation Dynamics ⬇️

Are micelles needed to form methane hydrates in sodium dodecyl sulfate solutions?

Atom-bond pairwise additive representation for cation-benzene potential energy surfaces: An ab initio validation study

Atom-bond pairwise additive representation for halide-benzene potential energy surfaces: an ab initio validation study.

Beyond the Lennard-Jones model: a simple and accurate potential function probed by high resolution scattering data useful for molecular dynamics simulations

Carbon Dioxide Clathrate Hydrates: Selective Role of Intermolecular Interactions and Action of the SDS Catalyst ⬇️

Catching the role of anisotropic electronic distribution and charge transfer in halogen bonded complexes of noble gases.

Charge-displacement analysis of the interaction in the ammonia-noble gas complexes

Charge-transfer energy in the water-hydrogen molecular aggregate revealed by molecular-beam scattering experiments, charge displacement analysis, and ab initio calculations

Chirality of weakly bound complexes: the potential energy surfaces for the hydrogen-peroxide-noble-gas interactions

Closer versus Long Range Interaction Effects on the Non-Arrhenius Behavior of Quasi-Resonant O2 + N2 Collisions.

Collision Integrals for Interactions Involving Atoms in Electronically Excited States†

Collision cross sections, pressure-broadening coefficients and second virial coefficients for the acetylene-argon complex: experiments and calculations on a new potential energy surface

Collisionally aligned molecular beams: a tool for stereodynamical studies in the gas phase and at surfaces

Comparative investigation of pure and mixed rare gas atoms on coronene molecules.

Competitive role of CH4-CH4 and CH-π interactions in C6H6-(CH4)n aggregates: the transition from dimer to cluster features

Complexes of Alkali Metal Cations and Molecular Hydrogen: Potential Energy Surfaces and Bound States

Dissociative double photoionization of CO2 molecules in the 36-49 eV energy range: angular and energy distribution of ion products

Dissociative double photoionization of benzene molecules in the 26-33 eV energy range

Dissociative double photoionization of singly deuterated benzene molecules in the 26-33 eV energy range

Double photoionization of CO2 molecules in the 34-50 eV energy range

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

Efficiency of Collisional O2 + N2 Vibrational Energy Exchange.

Energy transfer dynamics and kinetics of elementary processes (promoted) by gas-phase CO2 -N2 collisions: Selectivity control by the anisotropy of the interaction

Enhanced Flexibility of the O2 + N2 Interaction and Its Effect on Collisional Vibrational Energy Exchange

Experimental Evidence of Chemical Components in the Bonding of Helium and Neon with Neutral Molecules

Experimental and theoretical evidence of charge transfer in weakly bound complexes of water

Experimental investigation of the reaction of helium ions with dimethyl ether: stereodynamics of the dissociative charge exchange process.

Features of Ar Solvation Shells in Neutral and Ionic Clustering: The Competitive Role of Two-Body and Many-Body Interactions ⬇️

From ar clustering dynamics to Ar solvation for Na+-benzene

Glory-scattering measurement of water-noble-gas interactions: the birth of the hydrogen bond

H2O-CH4 and H2S-CH4 complexes: a direct comparison through molecular beam experiments and ab initio calculations

Helium Accepts Back-Donation In Highly Polar Complexes: New Insights into the Weak Chemical Bond.

Inelastic rate coefficients based on an improved potential energy surface for N2 + N2 collisions in a wide temperature range

Interaction of O2 with CH4, CF4, and CCl4 by Molecular Beam Scattering Experiments and Theoretical Calculations

Intermolecular interaction in the H2S-H2 complex: molecular beam scattering experiments and ab-inito calculations

Intermolecular interaction in the NH3-H2 and H2O-H2 complexes by molecular beam scattering experiments: the role of charge transfer.

Intermolecular interaction potentials for the Ar-C2H2, Kr-C2H2, and Xe-C2H2 weakly bound complexes: information from molecular beam scattering, pressure broadening coefficients, and rovibrational spectroscopy

Intermolecular interactions of H2S with rare gases from molecular beam scattering in the glory regime and from ab initio calculations

Leading Interaction Components in the Structure and Reactivity of Noble Gases Compounds

Low-energy structures of benzene clusters with a novel accurate potential surface.

Low-lying electronic states of HBr2+

Measurements of Ionization Cross Sections by Molecular Beam Experiments: Information Content on the Imaginary Part of the Optical Potential

Methane production by CO2 hydrogenation reaction with and without solid phase catalysis

Methanol-methanol and methanol-water systems: the intermolecular interactions controlling the transition from small clusters to the liquid phase.

Microsolvation of the potassium ion with aromatic rings: comparison between hexafluorobenzene and benzene.

Modelling Charge Transfer in Weak Chemical Bonds: Insights from the Chemistry of Helium

Molecular Dynamics Simulations of Small Clusters and Liquid Hydrogen Sulfide at Different Thermodynamic Conditions

Molecular-beam study of the ammonia-noble gas systems: characterization of the isotropic interaction and insights into the nature of the intermolecular potential

Molecular-beam study of the water-helium system: features of the isotropic component of the intermolecular interaction and a critical test for the available potential-energy surfaces

New insights on the stereodynamics of ethylene adsorption on an oxygen-precovered silver surface

Orientation of benzene in supersonic expansions, probed by IR-laser absorption and by molecular beam scattering.

Penetration Barrier of Water through Graphynes' Pores: First-Principles Predictions and Force Field Optimization

Penning Ionization Electron Spectroscopy of Hydrogen Sulfide by Metastable Helium and Neon Atoms

Penning ionization of N2O molecules by He*(2(3,1)S) and Ne*(3P2,0) metastable atoms: a crossed beam study

Penning ionization of N2O molecules by He*(2(3,1)S) and Ne*(3P2,0) metastable atoms: theoretical considerations about the intermolecular interactions

Quantum-State Controlled Reaction Channels in Chemi-ionization Processes: Radiative (Optical-Physical) and Exchange (Oxidative-Chemical) Mechanisms ⬇️

Revealing charge-transfer effects in gas-phase water chemistry

Role of rotational alignment in dissociative chemisorption and oxidation: O2 on bare and CO-precovered Pd(100)

Scattering of rotationally aligned oxygen molecules and the measurement of anisotropies of van der Waals forces

Selective Emergence of the Halogen Bond in Ground and Excited States of Noble-Gas-Chlorine Systems

Selective production of reactive and nonreactive oxygen atoms on Pd(001) by rotationally aligned oxygen molecules

Snowball formation for Cs+ solvation in molecular hydrogen and deuterium

Penning ionization of N2O molecules by He(2(3,1)S) and Ne(3P2,0) metastable atoms: a crossed beam study

Penning ionization of N2O molecules by He(2(3,1)S) and Ne(3P2,0) metastable atoms: theoretical considerations about the intermolecular interactions