M. Bartolomei

发表

On the role of the vibrational dependence of the intermolecular potential in O2(v)+ O2 Collisions

Marta I. Hernández, J. Campos-Martínez, R. Hernández-Lamoneda, 2004 .

Wave packet dynamics of H2(v1=8-14)+H2(v2=0-2): the role of the potential energy surface on different reactive and dissociative processes.

Marta I. Hernández, J. Campos-Martínez, M. Bartolomei, 2005, The Journal of chemical physics.

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

F. Thibault, F. Pirani, D. Cappelletti, 2009, The journal of physical chemistry. A.

Collisional orientation of the benzene molecular plane in supersonic seeded expansions, probed by infrared polarized laser absorption spectroscopy and by molecular beam scattering

Fernando Pirani, Vincenzo Aquilanti, Massimiliano Bartolomei, 2003 .

Alignment of ethylene molecules in supersonic seeded expansions probed by infrared polarized laser absorption and by molecular beam scattering

S. Iannotta, V. Aquilanti, F. Pirani, 2006 .

A molecular beam scattering study of weakly bound complexes: the potential energy surfaces for the C2H4–Ne, –Ar and –Kr systems

V. Aquilanti, F. Pirani, D. Cappelletti, 2006 .

Molecular Beam Scattering Experiments on Benzene−Rare Gas Systems: Probing the Potential Energy Surfaces for the C6H6−He, −Ne, and −Ar Dimers†

V. Aquilanti, F. Pirani, D. Cappelletti, 2002 .

Orienting and aligning molecules for stereochemistry and photodynamics.

Fernando Pirani, Vincenzo Aquilanti, Massimiliano Bartolomei, 2005, Physical chemistry chemical physics : PCCP.

Graphene Multi-Protonation: a New Mechanism for Proton Permeation

Marta I. Hernández, J. Campos-Martínez, M. Bartolomei, 2018 .

Photodynamics of clusters of the major components of the atmosphere

V. Aquilanti, F. Pirani, D. Cappelletti, 2004 .

Vibrational Energy Transfer in CO+N2 Collisions: A Database for V–V and V–T/R Quantum-Classical Rate Coefficients

Quanhua Sun, F. Pirani, A. Lombardi, 2021, Molecules.

Reconciling experimental and theoretical vibrational deactivation in low-energy O + N2 collisions.

Quanhua Sun, F. Pirani, F. Esposito, 2021, Physical chemistry chemical physics : PCCP.

An unrestricted approach for the accurate calculation of the interaction potentials of open-shell monomers: The case of O2-O2.

Marta I. Hernández, J. Campos-Martínez, R. Hernández-Lamoneda, 2020, The Journal of chemical physics.

Diatom-diatom interactions: Building potential energy surfaces and effect of intramolecular vibrations

Marta I. Hernández, J. Campos-Martínez, E. Carmona-Novillo, 2011 .

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

Quanhua Sun, F. Pirani, Qizhen Hong, 2020, Physical chemistry chemical physics : PCCP.

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

Marta I. Hernández, F. Pirani, J. Campos-Martínez, 2019, The journal of physical chemistry. A.

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

F. Pirani, A. Laganà, A. Kurnosov, 2016, The journal of physical chemistry. A.

Graphdiyne Pores: “Ad Hoc” Openings for Helium Separation Applications

Marta I. Hernández, F. Pirani, G. Giorgi, 2014 .

Global Potentials for the Interaction between Rare Gases and Graphene-Based Surfaces: An Atom–Bond Pairwise Additive Representation

Marta I. Hernández, F. Pirani, J. Campos-Martínez, 2013 .

Molecular-beam scattering and pressure broadening cross sections for the acetylene-neon system

F. Thibault, F. Pirani, D. Cappelletti, 2007 .

Multilayer Graphtriyne Membranes for Separation and Storage of CO2: Molecular Dynamics Simulations of Post-Combustion Model Mixtures

Yusuf Bramastya Apriliyanto, F. Pirani, A. Lombardi, 2022, Molecules.

Chemical Interactions and Spin Structure in (O2)4: Implications for the ε-O2 Phase.

J. Recio, E. Francisco, J. Campos-Martínez, 2013, Journal of chemical theory and computation.

Helium Isotopes Quantum Sieving through Graphtriyne Membranes

Marta I. Hernández, J. Campos-Martínez, M. Bartolomei, 2020, Nanomaterials.

Transmission of Helium Isotopes through Graphdiyne Pores: Tunneling versus Zero Point Energy Effects.

Marta I. Hernández, J. Campos-Martínez, M. Bartolomei, 2015, The journal of physical chemistry. A.

Accurate ab initio intermolecular potential energy surface for the quintet state of the O2(3Sigma(g)-)-O2(3Sigma(g)-) dimer.

Marta I. Hernández, J. Campos-Martínez, E. Carmona-Novillo, 2008, The Journal of chemical physics.

Molecular Beam Scattering of Aligned Oxygen Molecules. The Nature of the Bond in the O2−O2 Dimer

Fernando Pirani, Vincenzo Aquilanti, Massimiliano Bartolomei, 1999 .

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

Andrea Lombardi, Massimiliano Bartolomei, Fernando Pirani, 2012, J. Comput. Chem..

Transferability and accuracy by combining dispersionless density functional and incremental post-Hartree-Fock theories: Noble gases adsorption on coronene/graphene/graphite surfaces.

A. Mitrushchenkov, H. Stoll, M. Bartolomei, 2015, The Journal of chemical physics.

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

V. Aquilanti, F. Pirani, D. Cappelletti, 2001, Physical review letters.

Interaction and Reactivity of Cisplatin Physisorbed on Graphene Oxide Nano-Prototypes

Ma del Refugio Cuevas-Flores, M. García-Revilla, M. Bartolomei, 2020, Nanomaterials.

Potential energy surfaces for the benzene-rare gas systems

Fernando Pirani, Massimiliano Bartolomei, David Cappelletti, 2003 .

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

Marta I. Hernández, F. Pirani, R. Pérez de Tudela, 2017, The Journal of chemical physics.

Solvation of ions in helium

P. Scheier, O. Echt, M. Gatchell, 2020 .

Molecular Beam Scattering Experiments On Species Of Atmospheric Relevance: Potential Energy Surfaces For Clusters And Quantum Mechanical Prediction Of Spectral Features

V. Aquilanti, F. Pirani, D. Cappelletti, 2003 .

Dimers of the major components of the atmosphere: Realistic potential energy surfaces and quantum mechanical prediction of spectral features

V. Aquilanti, F. Pirani, D. Cappelletti, 2001 .

Efficiency of Collisional O2 + N2 Vibrational Energy Exchange.

F. Pirani, A. Laganà, A. Kurnosov, 2016, The journal of physical chemistry. B.

Quasiclassical trajectory study of reactive and dissociative processes in H2+H2: comparison with quantum-mechanical calculations.

Marta I. Hernández, J. Campos-Martínez, E. Carmona-Novillo, 2007, The Journal of chemical physics.

Quantum interference scattering of aligned molecules: Bonding in O-4 and role of spin coupling

V. Aquilanti, F. Pirani, D. Cappelletti, 1999 .

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

Marzio Rosi, Fernando Pirani, Massimiliano Bartolomei, 2008, Physical chemistry chemical physics : PCCP.

Global ab initio potential energy surface for the O2((3)Σ(g)(-)) + N2((1)Σ(g)(-)) interaction. Applications to the collisional, spectroscopic, and thermodynamic properties of the complex.

Marta I. Hernández, R. Moszynski, J. Campos-Martínez, 2014, The journal of physical chemistry. A.

Ca+ Ions Solvated in Helium Clusters

Marta I. Hernández, P. Scheier, P. Martini, 2021, Molecules.

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

Marta I. Hernández, P. Scheier, P. Martini, 2019, The Journal of chemical physics.

Lithium ions solvated in helium† †Electronic supplementary information (ESI) available: Radial distributions of HenLi+ snowballs. See DOI: 10.1039/c8cp04522d

Marta I. Hernández, P. Scheier, M. Gatchell, 2018, Physical chemistry chemical physics : PCCP.

Noncovalent interactions between cisplatin and graphene prototypes

Massimiliano Bartolomei, Ma del Refugio Cuevas-Flores, Marco García-Revilla, 2018, J. Comput. Chem..

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

Marta I. Hernández, F. Pirani, R. Pérez de Tudela, 2017, Physical chemistry chemical physics : PCCP.

A global optimization perspective on molecular clusters

P. E. Abreu, J. L. Llanio-Trujillo, M. Albertí, 2017, Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences.

Long‐range interaction for dimers of atmospheric interest: dispersion, induction and electrostatic contributions for O2O2, N2N2 and O2N2

Massimiliano Bartolomei, Estela Carmona-Novillo, Marta I. Hernández, 2011, J. Comput. Chem..

The intermolecular potentials of the O2-O2 dimer: a detailed ab initio study of the energy splittings for the three lowest multiplet states.

Marta I. Hernández, J. Campos-Martínez, E. Carmona-Novillo, 2008, Physical chemistry chemical physics : PCCP.

Permeation of chemisorbed hydrogen through graphene: A flipping mechanism elucidated

Marta I. Hernández, G. Giorgi, J. Campos-Martínez, 2021, Carbon.

Graphene multi-protonation: A cooperative mechanism for proton permeation

J. Campos-Martínez, R. Hernández-Lamoneda, M. Bartolomei, 2018, Carbon.

Modeling Coronene Nanostructures: Analytical Potential, Stable Configurations and Ab Initio Energies

Fernando Pirani, Jorge M. C. Marques, Massimiliano Bartolomei, 2017 .

Global fits of new intermolecular ground state potential energy surfaces for N2-H2 and N2-N2 van der Waals dimers

Thomas Cauchy, Fernando Pirani, Massimiliano Bartolomei, 2007 .

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.

F. Thibault, F. Pirani, D. Cappelletti, 2007, The Journal of chemical physics.

Full Dimensional Potential Energy Function and Calculation of State-Specific Properties of the CO+N2 Inelastic Processes Within an Open Molecular Science Cloud Perspective

Antonio Laganà, Fernando Pirani, Andrea Lombardi, 2019, Front. Chem..

Examination of the Feynman-Hibbs Approach in the Study of NeN-Coronene Clusters at Low Temperatures.

Marta I. Hernández, R. Pérez de Tudela, J. Campos-Martínez, 2016, The journal of physical chemistry. A.

Coronene molecules in helium clusters: Quantum and classical studies of energies and configurations.

Marta I. Hernández, R. Pérez de Tudela, J. Campos-Martínez, 2015, The Journal of chemical physics.

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

Antonio Laganà, Fernando Pirani, Andrea Lombardi, 2016, J. Comput. Chem..

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

F. Thibault, F. Pirani, D. Cappelletti, 2005, The journal of physical chemistry. A.

Influence of the Intermolecular Potential Energy on N _2 2 -N _2 2 Inelastic Collisions: A Quantum-Classical Study

Fernando Pirani, Cecilia Coletti, Massimiliano Bartolomei, 2017, ICCSA.

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

F. Pirani, D. Cappelletti, B. Bussery-Honvault, 2008, Physical chemistry chemical physics : PCCP.

The asymmetric dimer N2–O2: Characterization of the potential energy surface and quantum mechanical calculation of rotovibrational levels

Fernando Pirani, Vincenzo Aquilanti, Massimiliano Bartolomei, 2003 .

Supplementary Information : Snowball formation for Cs + solvation in molecular hydrogen and deuterium

Marta I. Hernández, P. Scheier, P. Martini, 2019 .

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

Fernando Pirani, Jorge M. C. Marques, Massimiliano Bartolomei, 2015, J. Comput. Chem..

Energy exchange rate coefficients from vibrational inelastic O2(Σg-3) + O2(Σg-3) collisions on a new spin-averaged potential energy surface.

Marta I. Hernández, Quanhua Sun, F. Pirani, 2021, The Journal of chemical physics.

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

Fernando Pirani, Koichi Yamashita, Massimiliano Bartolomei, 2013, The journal of physical chemistry letters.

A Novel Nanoporous Graphite Based on Graphynes: First-Principles Structure and Carbon Dioxide Preferential Physisorption.

Massimiliano Bartolomei, Giacomo Giorgi, G. Giorgi, 2016, ACS applied materials & interfaces.

First Principles Investigation of Hydrogen Physical Adsorption on Graphynes' layers

Massimiliano Bartolomei, Estela Carmona-Novillo, Giacomo Giorgi, 2015, 1510.01112.

The N2–N2 system: An experimental potential energy surface and calculated rotovibrational levels of the molecular nitrogen dimer

Fernando Pirani, Vincenzo Aquilanti, Massimiliano Bartolomei, 2002 .

Nanostructure Selectivity for Molecular Adsorption and Separation: the Case of Graphyne Layers

Fernando Pirani, Andrea Lombardi, Yusuf Bramastya Apriliyanto, 2018, The Journal of Physical Chemistry C.

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

Ernesto Garcia, Massimiliano Bartolomei, Fernando Pirani, 2014, J. Comput. Chem..

A study to improve the van der Waals component of the interaction in water clusters

Antonio Laganà, Fernando Pirani, Margarita Albertí, 2008 .

Global ab initio potential energy surfaces for the O2(3Σg-)+O2(3Σg-) interaction.

Marta I. Hernández, J. Campos-Martínez, E. Carmona-Novillo, 2010, The Journal of chemical physics.

Examination of the Feynman-Hibbs Approach in the Study of NeN-Coronene Clusters at Low Temperatures.

Marta I. Hernández, R. Pérez de Tudela, J. Campos-Martínez, 2016, The journal of physical chemistry. A.

Coronene molecules in helium clusters: Quantum and classical studies of energies and configurations.

Marta I. Hernández, R. Pérez de Tudela, J. Campos-Martínez, 2015, The Journal of chemical physics.

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Quanhua Sun, F. Pirani, L. Storchi, 2023, The European Physical Journal D.

Improved Quantum–Classical Treatment of N2–N2 Inelastic Collisions: Effect of the Potentials and Complete Rate Coefficient Data Sets

L. Storchi, M. Bartolomei, C. Coletti, 2023, Journal of chemical theory and computation.

Accurate ab initio intermolecular potential energy surface for the quintet state of the O2(3Sigma(g)-)-O2(3Sigma(g)-) dimer.

E. Carmona-Novillo, M. Bartolomei, Marta I Hernández, 2008, The Journal of chemical physics.

Intermolecular potential of the O2-O2 dimer. An ab initio study and comparison with experiment.

Marta I. Hernández, J. Campos-Martínez, R. Hernández-Lamoneda, 2005, The journal of physical chemistry. A.

Effect of anisotropy on the glory structure of molecule-molecule scattering cross sections

M. Bartolomei, J. P'erez-R'ios, J. Campos-Mart'inez, 2011, 1112.1925.

Graphene as Nanocarrier for Gold(I)-Monocarbene Complexes: Strength and Nature of Physisorption

N. Bulut, M. Bartolomei, C. Coletti, 2023, Molecules.

Borophene nanoclusters: Energetics and structures from analytical potentials.

M. Bartolomei, Farideh Zergani, F. Pirani, 2024, The Journal of chemical physics.

Ab initio rovibrational structure of the lowest singlet state of O2-O2.

Marta I. Hernández, J. Campos-Martínez, E. Carmona-Novillo, 2012, The Journal of chemical physics.

Properties of the molecular oxygen trimer from pairwise additive interactions

Marta I. Hernández, J. Campos-Martínez, E. Carmona-Novillo, 2012 .