Lista de obras - Rocco Martinazzo - Dominio Público Uruguay

A few simple rules governing hydrogenation of graphene dots

artículo científico publicado en 2011

A local coherent-state approximation to system-bath quantum dynamics

artículo científico publicado en 2006

Adiabatic potential energy surfaces for the low-energy collisional dynamics of C(+)((2)P) ions with H2 molecules

artículo científico publicado en 2014

Compact MCTDH wave functions for high-dimensional system-bath quantum dynamics

scientific article published on 20 September 2012

Dissipative tunneling rates through the incorporation of first-principles electronic friction in instanton rate theory. II. Benchmarks and applications

scientific article published in 2022

Electron transport in carbon wires in contact with Ag electrodes: a detailed first principles investigation.

artículo científico publicado en 2015

Full quantum dynamical investigation of the Eley-Rideal reaction forming H2 on a movable graphitic substrate at T = 0 K.

artículo científico publicado en 2017

Generalized CC-TDSCF and LCSA: The system-energy representation

artículo científico publicado en 2011

Hot-atom versus Eley-Rideal dynamics in hydrogen recombination on Ni(100). I. The single-adsorbate case

artículo científico publicado en 2004

Hydrogen Recombination and Dimer Formation on Graphite from Ab Initio Molecular Dynamics Simulations

artículo científico publicado en 2016

Hydrogen adsorption on nitrogen and boron doped graphene

artículo científico publicado en 2015

Hydrogen on silicene: like or unlike graphene?

artículo científico publicado en 2016

Hydrogen-dimer lines and electron waveguides in graphene

Inherently Chiral Spider-Like Oligothiophenes.

artículo científico publicado en 2016

Inherently chiral macrocyclic oligothiophenes: easily accessible electrosensitive cavities with outstanding enantioselection performances

artículo científico publicado en 2014

Insights into H2 formation in space from ab initio molecular dynamics.

artículo científico publicado en 2013

Lower Bounds for Coulombic Systems

artículo científico publicado en 2021

Lower bounds to eigenvalues of the Schrödinger equation by solution of a 90-y challenge

artículo científico publicado en 2020

Multi-configurational Ehrenfest simulations of ultrafast nonadiabatic dynamics in a charge-transfer complex

scientific article published on 01 December 2018

Non-Markovian reduced dynamics based upon a hierarchical effective-mode representation.

artículo científico publicado en 2012

Note: Caldeira-Leggett model describes dynamics of hydrogen atoms on graphene

scientific article published on 01 September 2016

Potential energy surface, bound states, and rotational inelastic cross sections of the He-CH4 system: a theoretical investigation

artículo científico publicado en 2004

Quantum dynamical investigation of the isotope effect in H2 formation on graphite at cold collision energies

scientific article published on 12 February 2016

Quantum dynamics of hydrogen atoms on graphene. I. System-bath modeling.

artículo científico publicado en 2015

Quantum dynamics of hydrogen atoms on graphene. II. Sticking.

artículo científico publicado en 2015

Quantum dynamics of the Eley-Rideal hydrogen formation reaction on graphite at typical interstellar cloud conditions

artículo científico publicado en 2009

Quantum dynamics of ultrafast charge transfer at an oligothiophene-fullerene heterojunction

artículo científico publicado en 2012

Quantum effects in an exoergic, barrierless reaction at high collision energies

artículo científico publicado en 2005

Quantum study of Eley-Rideal reaction and collision induced desorption of hydrogen atoms on a graphite surface. I. H-chemisorbed case.

artículo científico publicado en 2006

Quantum study of Eley-Rideal reaction and collision induced desorption of hydrogen atoms on a graphite surface. II. H-physisorbed case

artículo científico publicado en 2006

Quasi-classical trajectory study of the adiabatic reactions occurring on the two lowest-lying electronic states of the LiH2+ system

artículo científico publicado en 2008

Reduced and Exact Quantum Dynamics of the Vibrational Relaxation of a Molecular System Interacting with a Finite-Dimensional Bath

artículo científico publicado en 2012

Self-consistent theory of lower bounds for eigenvalues

artículo científico publicado en 2020

Sticking of atomic hydrogen on graphene

artículo científico publicado en 2018

Superhydrogenation of pentacene: the reactivity of zigzag-edges

artículo científico publicado en 2019

Surface models and reaction barrier in Eley-Rideal formation of H2 on graphitic surfaces

artículo científico publicado en 2011

Testing wave packet dynamics in computing radiative association cross sections

artículo científico publicado en 2005

To bend or not to bend, the dilemma of multiple bonds

scientific article published on 01 December 2019

Understanding adsorption of hydrogen atoms on graphene

artículo científico publicado en 2009

Unraveling a Brownian particle's memory with effective mode chains.

artículo científico publicado en 2011

Vibronic coupling models for donor-acceptor aggregates using an effective-mode scheme: Application to mixed Frenkel and charge-transfer excitons in oligothiophene aggregates

scientific article published on 01 June 2019

Lista de obras de Rocco Martinazzo

A few simple rules governing hydrogenation of graphene dots

A local coherent-state approximation to system-bath quantum dynamics

Adiabatic potential energy surfaces for the low-energy collisional dynamics of C(+)((2)P) ions with H2 molecules

Compact MCTDH wave functions for high-dimensional system-bath quantum dynamics

Dissipative tunneling rates through the incorporation of first-principles electronic friction in instanton rate theory. II. Benchmarks and applications

Electron transport in carbon wires in contact with Ag electrodes: a detailed first principles investigation.

Full quantum dynamical investigation of the Eley-Rideal reaction forming H2 on a movable graphitic substrate at T = 0 K.

Generalized CC-TDSCF and LCSA: The system-energy representation

Hot-atom versus Eley-Rideal dynamics in hydrogen recombination on Ni(100). I. The single-adsorbate case

Hydrogen Recombination and Dimer Formation on Graphite from Ab Initio Molecular Dynamics Simulations

Hydrogen adsorption on nitrogen and boron doped graphene

Hydrogen on silicene: like or unlike graphene?

Hydrogen-dimer lines and electron waveguides in graphene

Inherently Chiral Spider-Like Oligothiophenes.

Inherently chiral macrocyclic oligothiophenes: easily accessible electrosensitive cavities with outstanding enantioselection performances

Insights into H2 formation in space from ab initio molecular dynamics.

Lower Bounds for Coulombic Systems

Lower bounds to eigenvalues of the Schrödinger equation by solution of a 90-y challenge

Multi-configurational Ehrenfest simulations of ultrafast nonadiabatic dynamics in a charge-transfer complex

Non-Markovian reduced dynamics based upon a hierarchical effective-mode representation.

Note: Caldeira-Leggett model describes dynamics of hydrogen atoms on graphene

Potential energy surface, bound states, and rotational inelastic cross sections of the He-CH4 system: a theoretical investigation

Quantum dynamical investigation of the isotope effect in H2 formation on graphite at cold collision energies

Quantum dynamics of hydrogen atoms on graphene. I. System-bath modeling.

Quantum dynamics of hydrogen atoms on graphene. II. Sticking.

Quantum dynamics of the Eley-Rideal hydrogen formation reaction on graphite at typical interstellar cloud conditions

Quantum dynamics of ultrafast charge transfer at an oligothiophene-fullerene heterojunction

Quantum effects in an exoergic, barrierless reaction at high collision energies

Quantum study of Eley-Rideal reaction and collision induced desorption of hydrogen atoms on a graphite surface. I. H-chemisorbed case.

Quantum study of Eley-Rideal reaction and collision induced desorption of hydrogen atoms on a graphite surface. II. H-physisorbed case

Quasi-classical trajectory study of the adiabatic reactions occurring on the two lowest-lying electronic states of the LiH2+ system

Reduced and Exact Quantum Dynamics of the Vibrational Relaxation of a Molecular System Interacting with a Finite-Dimensional Bath

Self-consistent theory of lower bounds for eigenvalues

Sticking of atomic hydrogen on graphene

Superhydrogenation of pentacene: the reactivity of zigzag-edges

Surface models and reaction barrier in Eley-Rideal formation of H2 on graphitic surfaces

Testing wave packet dynamics in computing radiative association cross sections

To bend or not to bend, the dilemma of multiple bonds

Understanding adsorption of hydrogen atoms on graphene

Unraveling a Brownian particle's memory with effective mode chains.

Vibronic coupling models for donor-acceptor aggregates using an effective-mode scheme: Application to mixed Frenkel and charge-transfer excitons in oligothiophene aggregates