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The Journal of Organic Chemistry|November 25, 2003
Ab initio evaluation of intramolecular electron transfer reactions in halobenzenes and stabilized derivativesAdriana B Pierini, D Mariano A VeraPhysical Chemistry Chemical Physics : PCCP|October 9, 2009
In search for an optimal methodology to calculate the valence electron affinities of temporary anionsMarcelo Puiatti, D Mariano A Vera, Adriana B PieriniPhysical Chemistry Chemical Physics : PCCP|March 1, 2008
Species with negative electron affinity and standard DFT methods. Finding the valence anionsMarcelo Puiatti, D Mariano A Vera, Adriana B PieriniJournal of Chemical Theory and Computation|July 2, 2026
Improving PCM in Protic Media: Markov State Models for TD-DFT CalculationsNicolás A Rodríguez, Carlos A Chesta, D Mariano A VeraJournal of Molecular Graphics & Modelling|October 8, 2013
Binding of modulators to mouse and human multidrug resistance P-glycoprotein. A computational studyGabriel E Jara, D Mariano A Vera, Adriana B PieriniPhysical Chemistry Chemical Physics : PCCP|March 21, 2017
In search of the best DFT functional for dealing with organic anionic speciesJosé L Borioni, Marcelo Puiatti, D Mariano A Vera, et al.The Journal of Organic Chemistry|August 12, 2006
Inter- and intramolecular-bridge-mediated electron transfer in aliphatic halidesJorge G Uranga, D Mariano A Vera, Ana N Santiago, et al.Physical Chemistry Chemical Physics : PCCP|November 16, 2007
An experimental and theoretical study on the electrostatic effect of an appended cationic group on electronic properties of aromatic systemsViviana Grosso, Carlos Previtali, Carlos A Chesta, et al.Journal of Enzyme Inhibition and Medicinal Chemistry|December 7, 2017
Synthesis and preliminary structure-activity relationship study of 2-aryl-2H-pyrazolo[4,3-c]quinolin-3-ones as potential checkpoint kinase 1 (Chk1) inhibitorsIvana Malvacio, Alberto Cuzzolin, Mattia Sturlese, et al.BMC Bioinformatics|September 26, 2018
Molecular dynamics and structure function analysis show that substrate binding and specificity are major forces in the functional diversification of EqolisinsNicolás Stocchi, María Victoria Revuelta, Priscila Ailín Lanza Castronuovo, et al.Pageof 2