Chemical Aristocracy: He3 Dication and Analogous Noble-Gas-Exclusive Covalent Compounds by Araujo, Lucas, Fantuzzi, Felipe, Cardozo, Thiago M.

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Chemical Aristocracy: He 3 Dication and Analogous Noble-Gas-Exclusive Covalent Compounds by Araujo, Lucas, Fantuzzi, Felipe, Cardozo, Thiago M

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

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THE ROLE OF jj COUPLING ON THE ENERGY LEVELS OF HEAVY ATOMS by Dias, Lucas, Cardozo, Thiago, Faria, Roberto

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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 by Mattos, Rafael S., Burghardt, Irene, Aquino, Adelia J. A., Cardozo, Thiago M., Lischka, Hans

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Impact of low-cost methods in the description of excimer and exciplex formation: pyrene–pyrene and pyrene–naphthalene case studies by do Casal, Mariana T., Cardozo, Thiago M.

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

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Heritage Artefacts in the COVID-19 Era: The Aura and Authenticity of 3D Models by Cardozo, Thiago Minete, Papadopoulos, Costas

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

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

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DABCO-promoted photocatalytic C-H functionalization of aldehydes by Maia da Silva Santos, Bruno, Dos Santos Dupim, Mariana, Paula de Souza, Cauê, Messias Cardozo, Thiago, Gadini Finelli, Fernanda

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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 Channe... by Bhattacharya, Sayantan, Graf, Arthur, Gomes, Anna Karolyna M. S, Chaudhri, Nivedita, Chekulaev, Dimitri, Brückner, Christian, Cardozo, Thiago M, Chauvet, Adrien A. P

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

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Absorption and Fluorescence Spectra of Poly(p‑phenylenevinylene) (PPV) Oligomers: An ab Initio Simulation by Cardozo, Thiago M, Aquino, Adélia J. A, Barbatti, Mario, Borges, Itamar, Lischka, Hans

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

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A general new method for calculating the molecular nonpolar surface for analysis of LC-MS data by Dhakal, Rabin, Nieman, Reed, Valente, Daniel C.A., Cardozo, Thiago M., Jayee, Bhumika, Aqdas, Amna, Peng, Wenjing, Aquino, Adelia J.A., Mechref, Yehia, Lischka, Hans, Moussa, Hanna

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

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

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

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

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