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Lista de obras de Juliana Palma

A Quasi-Classical Evaluation of the J-Shifting Approximation for the Reactive Cross Sections of F + CHD3 and F + CH4

scientific article published on 13 August 2019

A Quasiclassical Study of the F(2P) + CHD3 (ν1 = 0,1) Reactive System on an Accurate Potential Energy Surface

artículo científico publicado en 2015

A full-dimensional wave packet dynamics study of the photodetachment spectra of FCH 4−

artículo científico publicado en 2012

Charge Discrimination in P2X4 Receptors Occurs in Two Consecutive Stages

scientific article published on 24 January 2019

Communication: Mode specific quantum dynamics of the F + CHD3 → HF + CD3 reaction

artículo científico publicado en 2016

Consistent Principal Component Modes from Molecular Dynamics Simulations of Proteins

artículo científico publicado en 2017

Free-energy computations identify the mutations required to confer trans-sialidase activity into Trypanosoma rangeli sialidase.

artículo científico publicado en 2013

Molecular Dynamics Simulations of Substrate Release from Trypanosoma cruzi UDP-Galactopyranose Mutase

article

Molecular Dynamics Study of the Active Site of Methylamine Dehydrogenase

article

New insights into the meaning and usefulness of principal component analysis of concatenated trajectories

artículo científico publicado en 2014

Non-adiabatic effects in F + CHD3 reactive scattering

artículo científico publicado en 2017

Positively Charged Residues in the Head Domain of P2X4 Receptors Assist the Binding of ATP

scientific article published on 14 January 2020

QM/MM molecular dynamics study of the galactopyranose → galactofuranose reaction catalysed by Trypanosoma cruzi UDP-galactopyranose mutase

artículo científico publicado en 2014

Quantum scattering and quasi-classical trajectory calculations for the H2+OH ⇌ H2O+H reaction on a new potential surface

article published in 2000

Quantum study of the structure of the active site of methylamine dehydrogenase

Rate Constants for the CH4+ H → CH3+ H2Reaction Calculated with a Generalized Reduced-Dimensionality Method†

Rate constants calculation with a simple mixed quantum/classical implementation of the flux-flux correlation function method

artículo científico publicado en 2009

Resonances in the entrance channel of the elementary chemical reaction of fluorine and methane.

artículo científico publicado en 2013

Vibrational dynamics of the CH4·F- complex

artículo científico publicado en 2012