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Journal of Computational Chemistry|November 18, 2015
Revisiting the concept of the (a)synchronicity of Diels-Alder reactions based on the dynamics of quasiclassical trajectoriesMiguel A F de Souza, Elizete Ventura, Silmar A do Monte, et al.Physical Chemistry Chemical Physics : PCCP|November 6, 2014
Assessment of density-functionals for describing the X(-) + CH3ONO2 gas-phase reactions with X = F, OH, CH2CNYaicel G Proenza, Miguel A F de Souza, Elizete Ventura, et al.The Journal of Physical Chemistry. B|March 6, 2023
Temperature Dependence of Hydrogen Bond Networks of Liquid Water: Thermodynamic Properties and Structural Heterogeneity from Topological DescriptorsPaulo M C de Oliveira, Jéssica I R de Souza, Juliana A B da Silva, et al.Journal of Computational Chemistry|January 13, 2025
Assessment of DFT Functionals for Structural Determination of Lanthanide(III) Complexes Using Ligand Field SplittingLucca Blois, Renaldo T Moura, Ricardo L Longo, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|August 14, 2012
Dependence of the lifetime upon the excitation energy and intramolecular energy transfer rates: the 5D0Eu(III) emission caseRute A S Ferreira, Mariela Nolasco, Ana C Roma, et al.Nanoscale|June 2, 2023
Exploring the intra-4f and the bright white light upconversion emissions of Gd2O3:Yb3+,Er3+-based materials for thermometryTalita J S Ramos, Ricardo L Longo, Carlos D S Brites, et al.Molecules (Basel, Switzerland)|November 18, 2016
A Green Approach for Allylations of Aldehydes and Ketones: Combining Allylborate, Mechanochemistry and Lanthanide CatalystViviane P de Souza, Cristiane K Oliveira, Thiago M de Souza, et al.The Journal of Organic Chemistry|December 26, 2008
Hydrolysis of 8-quinolyl phosphate monoester: kinetic and theoretical studies of the effect of lanthanide ionsBruno S Souza, Tiago A S Brandão, Elisa S Orth, et al.Physical Chemistry Chemical Physics : PCCP|November 19, 2024
Theoretical insights into the vibrational spectra and chemical bonding of Ln(III) complexes with a tripodal N4O3 ligand along the lanthanide seriesFrancielle C Machado, Mateus Quintano, Carlos V Santos-Jr, et al.Nature Communications|December 9, 2014
Efficient and tuneable photoluminescent boehmite hybrid nanoplates lacking metal activator centres for single-phase white LEDsXue Bai, Gianvito Caputo, Zhendong Hao, et al.Pageof 4