Lista de obras - Alexandre Zanchet - Dominio Público Uruguay

A comparative study of the Au + H₂, Au⁺ + H₂, and Au⁻ + H₂ systems: Potential energy surfaces and dynamics of reactive collisions

artículo científico publicado en 2015

A density-division embedding potential inversion technique

artículo científico publicado en 2009

An ab initio study of the ground and excited electronic states of the methyl radical

artículo científico publicado en 2016

An accurate study of the dynamics of the C+OH reaction on the second excited 14A″ potential energy surface

article

Communication: Theoretical exploration of Au++H2, D2, and HD reactive collisions

artículo científico publicado en 2011

Cross sections and rate constants for the C(P3)+OH(XΠ2)→CO(XΣ+1)+H(S2) reaction using a quasiclassical trajectory method

Differential Cross Sections and Product Rotational Polarization in A + BC Reactions Using Wave Packet Methods: H++ D2and Li + HF Examples†

artículo científico publicado en 2009

Differential cross sections and product energy distributions for the C(P3)+OH(XΠ2)→CO(XΣ+1)+H(S2) reaction using a quasiclassical trajectory method

Dynamically biased statistical model for the ortho/para conversion in the H2+H3+ → H3++ H2 reaction

artículo científico publicado en 2012

Femtosecond predissociation dynamics of the methyl radical from the 3p(z) Rydberg state

artículo científico publicado en 2015

Formation and Destruction of SiS in Space

artículo científico publicado en 2018

Imaging the photodissociation dynamics of the methyl radical from the 3s and 3pz Rydberg states.

artículo científico publicado en 2016

Long-range multipolar potentials of the 18 spin-orbit states arising from the C(3P) + OH(X 2Pi) interaction

artículo científico publicado en 2008

Mechanism of molecular hydrogen dissociation on gold chains and clusters as model prototypes of nanostructures

artículo científico publicado en 2009

New global potential energy surfaces of the ground 3A' and 3A″ states of the O(3P) + H2 system

artículo científico publicado en 2019

Non-adiabatic quantum dynamics of the electronic quenching OH(A2Σ+) + Kr

artículo científico publicado en 2020

Nonadiabatic State-to-State Reactive Collisions among Open Shell Reactants with Conical Intersections: The OH(2Π) + F(2P) Example†

artículo científico publicado en 2010

Potential energy surface and reactive collisions for the Au+H2 system

artículo científico publicado en 2010

Product lambda-doublet ratios as an imprint of chemical reaction mechanism

artículo científico publicado en 2016

Quantum and quasi-classical calculations for the S⁺ + H₂(v,j) → SH⁺(v',j') + H reactive collisions

artículo científico publicado en 2016

Quantum stereodynamics of Li + HF reactive collisions: the role of reactants polarization on the differential cross section

artículo científico publicado en 2011

Quasiclassical Trajectory and Statistical Quantum Calculations for the C + OH → CO + H Reaction on the First Excited 12A″ Potential Energy Surface

Signature of a conical intersection in the dissociative photoionization of formaldehyde

artículo científico publicado en 2020

Study of the C(3P) + OH(X2Π) → CO(X1Σg+) + H(2S) Reaction: A Fully Global ab Initio Potential Energy Surface of the X2A‘ State

Study of the C(3P) + OH(X2Π) → CO(a3Π) + H(2S) reaction: fully global ab initio potential energy surfaces of the 12A″ and 14A″ excited states and non adiabatic couplings

article

The Photodissociation of HCN and HNC: Effects on the HNC/HCN Abundance Ratio in the Interstellar Medium.

artículo científico publicado en 2017

Theoretical study of Rb2 in He(N): potential energy surface and Monte Carlo simulations

artículo científico publicado en 2011

Time-dependent wave packet and quasiclassical trajectory study of the C(P3)+OH(X Π2)→CO(X Σ1+)+H(S2) reaction at the state-to-state level

scientific article published on 01 May 2009

Lista de obras de Alexandre Zanchet

A comparative study of the Au + H₂, Au⁺ + H₂, and Au⁻ + H₂ systems: Potential energy surfaces and dynamics of reactive collisions

A density-division embedding potential inversion technique

An ab initio study of the ground and excited electronic states of the methyl radical

An accurate study of the dynamics of the C+OH reaction on the second excited 14A″ potential energy surface

Communication: Theoretical exploration of Au++H2, D2, and HD reactive collisions

Cross sections and rate constants for the C(P3)+OH(XΠ2)→CO(XΣ+1)+H(S2) reaction using a quasiclassical trajectory method

Differential Cross Sections and Product Rotational Polarization in A + BC Reactions Using Wave Packet Methods: H++ D2and Li + HF Examples†

Differential cross sections and product energy distributions for the C(P3)+OH(XΠ2)→CO(XΣ+1)+H(S2) reaction using a quasiclassical trajectory method

Dynamically biased statistical model for the ortho/para conversion in the H2+H3+ → H3++ H2 reaction

Femtosecond predissociation dynamics of the methyl radical from the 3p(z) Rydberg state

Formation and Destruction of SiS in Space

Imaging the photodissociation dynamics of the methyl radical from the 3s and 3pz Rydberg states.

Long-range multipolar potentials of the 18 spin-orbit states arising from the C(3P) + OH(X 2Pi) interaction

Mechanism of molecular hydrogen dissociation on gold chains and clusters as model prototypes of nanostructures

New global potential energy surfaces of the ground 3A' and 3A″ states of the O(3P) + H2 system

Non-adiabatic quantum dynamics of the electronic quenching OH(A2Σ+) + Kr

Nonadiabatic State-to-State Reactive Collisions among Open Shell Reactants with Conical Intersections: The OH(2Π) + F(2P) Example†

Potential energy surface and reactive collisions for the Au+H2 system

Product lambda-doublet ratios as an imprint of chemical reaction mechanism

Quantum and quasi-classical calculations for the S⁺ + H₂(v,j) → SH⁺(v',j') + H reactive collisions

Quantum stereodynamics of Li + HF reactive collisions: the role of reactants polarization on the differential cross section

Quasiclassical Trajectory and Statistical Quantum Calculations for the C + OH → CO + H Reaction on the First Excited 12A″ Potential Energy Surface

Signature of a conical intersection in the dissociative photoionization of formaldehyde

Study of the C(3P) + OH(X2Π) → CO(X1Σg+) + H(2S) Reaction: A Fully Global ab Initio Potential Energy Surface of the X2A‘ State

Study of the C(3P) + OH(X2Π) → CO(a3Π) + H(2S) reaction: fully global ab initio potential energy surfaces of the 12A″ and 14A″ excited states and non adiabatic couplings

The Photodissociation of HCN and HNC: Effects on the HNC/HCN Abundance Ratio in the Interstellar Medium.

Theoretical study of Rb2 in He(N): potential energy surface and Monte Carlo simulations

Time-dependent wave packet and quasiclassical trajectory study of the C(P3)+OH(X Π2)→CO(X Σ1+)+H(S2) reaction at the state-to-state level