Publications by authors named "Thiago M Cardozo"

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To Bend or Not to Bend: Revealing the Stereoelectronic Origin of the Distorted Carbon in Isocyanates.
Lucas Araujo, Felipe Fantuzzi, Thiago M Cardozo, Lars V Schäfer

J Phys Chem A· August 2025

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Unveiling distinct bonding patterns in noble gas hydrides interference energy analysis.
Lucas Araujo, Marco A C Nascimento, Thiago M Cardozo, Felipe Fantuzzi

Phys Chem Chem Phys· January 2025

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Linear or Cyclic? Theoretical Investigation of Astrophysically Relevant Magnesium-Bearing MgCH Carbon Chains and Related Isomers.
A Karolyna M S Gomes, Ricardo R Oliveira, Thiago M Cardozo, Felipe Fantuzzi

J Comput Chem· January 2025

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Chemical Aristocracy: He Dication and Analogous Noble-Gas-Exclusive Covalent Compounds.
Lucas Araujo, Felipe Fantuzzi, Thiago M Cardozo

J Phys Chem Lett· April 2024

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Valence tautomerism in a cobalt-dioxolene complex containing an imidazolic ancillary ligand.
Anderson Moledo Vicente Guedes, Leandro Sodré de Abreu, Igor Antunes Vogel Maldonado, William Silva Fernandes, Thiago Messias Cardozo

RSC Adv· June 2023

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On the Cooperative Origin of Solvent-Enhanced Symmetry-Breaking Charge Transfer in a Covalently Bound Tetracene Dimer Leading to Singlet Fission.
Rafael S Mattos, Irene Burghardt, Adelia J A Aquino, Thiago M Cardozo, Hans Lischka

J Am Chem Soc· December 2022

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Tailoring the Intersystem Crossing and Triplet Dynamics of Free-Base Octaalkyl-β-oxo-Substituted Porphyrins: Competing Effects of Spin-Vibronic and NH Tautomerism Relaxation Channels.
Sayantan Bhattacharya, Arthur Graf, Anna Karolyna M S Gomes, Nivedita Chaudhri, Dimitri Chekulaev, Thiago M Cardozo

J Phys Chem A· April 2022

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Nonradiative relaxation mechanisms of the elusive silole molecule.
Daniel de Castro Araujo Valente, Itamar Borges, Thiago Messias Cardozo

Phys Chem Chem Phys· December 2021

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Taming the Antiferromagnetic Beast: Computational Design of Ultrashort Mn-Mn Bonds Stabilized by N-Heterocyclic Carbenes.
Marcos A S Francisco, Felipe Fantuzzi, Thiago M Cardozo, Pierre M Esteves, Bernd Engels

Chemistry· August 2021

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A General New Method for Calculating the Molecular Nonpolar Surface for Analysis of LC-MS Data.
Rabin Dhakal, Reed Nieman, Daniel C A Valente, Thiago M Cardozo, Bhumika Jayee

Int J Mass Spectrom· March 2021

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Excitonic and charge transfer interactions in tetracene stacked and T-shaped dimers.
Daniel C A Valente, Mariana T do Casal, Mario Barbatti, Thomas A Niehaus, Adelia J A Aquino, Thiago M Cardozo

J Chem Phys· January 2021

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Dynamics of benzene excimer formation from the parallel-displaced dimer.
Thiago Messias Cardozo, Andre Pessoa Galliez, Itamar Borges, Felix Plasser, Adelia J A Aquino

Phys Chem Chem Phys· July 2019

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Solvent effects on the decarboxylation of trichloroacetic acid: insights from ab initio molecular dynamics simulations.
Guilherme C Q da Silva, Thiago M Cardozo, Giovanni W Amarante, Charlles R A Abreu, Bruno A C Horta

Phys Chem Chem Phys· August 2018

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On the metastability of doubly charged homonuclear diatomics.
Felipe Fantuzzi, Thiago M Cardozo, Marco A C Nascimento

Phys Chem Chem Phys· July 2017

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The Nature of the Singlet and Triplet States of Cyclobutadiene as Revealed by Quantum Interference.
Felipe Fantuzzi, Thiago M Cardozo, Marco A C Nascimento

Chemphyschem· January 2016

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Nature of the chemical bond and origin of the inverted dipole moment in boron fluoride: a generalized valence bond approach.
Felipe Fantuzzi, Thiago Messias Cardozo, Marco Antonio Chaer Nascimento

J Phys Chem A· May 2015

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Absorption and fluorescence spectra of poly(p-phenylenevinylene) (PPV) oligomers: an ab initio simulation.
Thiago M Cardozo, Adélia J A Aquino, Mario Barbatti, Itamar Borges, Hans Lischka

J Phys Chem A· March 2015

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The non-covalent nature of the molecular structure of the benzene molecule.
Thiago Messias Cardozo, Felipe Fantuzzi, Marco Antonio Chaer Nascimento

Phys Chem Chem Phys· June 2014

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Interference energy in C-H and C-C bonds of saturated hydrocarbons: dependence on the type of chain and relationship to bond dissociation energy.
Francisco Senna Vieira, Felipe Fantuzzi, Thiago Messias Cardozo, Marco Antonio Chaer Nascimento

J Phys Chem A· May 2013

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The anomeric effect: the dominance of exchange effects in closed-shell systems.
Glauco F Bauerfeldt, Thiago M Cardozo, Márcio S Pereira, Clarissa O da Silva

Org Biomol Chem· January 2013

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The role of quantum-mechanical interference and quasi-classical effects in conjugated hydrocarbons.
Felipe Fantuzzi, Thiago Messias Cardozo, Marco Antonio Chaer Nascimento

Phys Chem Chem Phys· April 2012

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Interference effect and the nature of the pi-bonding in 1,3-butadiene.
Thiago Messias Cardozo, Gabriel Nascimento Freitas, Marco Antonio Chaer Nascimento

J Phys Chem A· August 2010

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Chemical bonding in the N(2) molecule and the role of the quantum mechanical interference effect.
Thiago Messias Cardozo, Marco Antonio Chaer Nascimento

J Phys Chem A· November 2009

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Energy partitioning for generalized product functions: the interference contribution to the energy of generalized valence bond and spin coupled wave functions.
Thiago Messias Cardozo, Marco Antonio Chaer Nascimento

J Chem Phys· March 2009

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Characterization of (NH3)(n=1-6)NH+ clusters produced by 252Cf fragments impact onto a NH3 condensed target.
Francisco Alberto Fernandez-Lima, Thiago Messias Cardozo, R M Rodriguez, Cassia Ribeiro Ponciano, Enio Frota da Silveira

J Phys Chem A· August 2007

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