Nascimento MAC - Search Results

1

Doubly and Triply Charged Species Formed from Chlorobenzene Reveal Unusual C-Cl Multiple Bonding.

Fantuzzi F, Rudek B, Wolff W, Nascimento MAC. Fantuzzi F, et al. Among authors: nascimento mac. J Am Chem Soc. 2018 Mar 28;140(12):4288-4292. doi: 10.1021/jacs.7b12749. Epub 2018 Mar 19. J Am Chem Soc. 2018. PMID: 29529365

2

The role of quantum-mechanical interference and quasi-classical effects in conjugated hydrocarbons.

Fantuzzi F, Cardozo TM, Nascimento MA. Fantuzzi F, et al. Phys Chem Chem Phys. 2012 Apr 28;14(16):5479-88. doi: 10.1039/c2cp24125k. Epub 2012 Mar 12. Phys Chem Chem Phys. 2012. PMID: 22410865

3

Interference energy in C-H and C-C bonds of saturated hydrocarbons: dependence on the type of chain and relationship to bond dissociation energy.

Vieira FS, Fantuzzi F, Cardozo TM, Nascimento MA. Vieira FS, et al. J Phys Chem A. 2013 May 16;117(19):4025-34. doi: 10.1021/jp4005746. Epub 2013 May 1. J Phys Chem A. 2013. PMID: 23574507

4

The non-covalent nature of the molecular structure of the benzene molecule.

Cardozo TM, Fantuzzi F, Nascimento MA. Cardozo TM, et al. Phys Chem Chem Phys. 2014 Jun 14;16(22):11024-30. doi: 10.1039/c3cp55256j. Phys Chem Chem Phys. 2014. PMID: 24779029

5

Nature of the chemical bond and origin of the inverted dipole moment in boron fluoride: a generalized valence bond approach.

Fantuzzi F, Cardozo TM, Nascimento MA. Fantuzzi F, et al. J Phys Chem A. 2015 May 28;119(21):5335-43. doi: 10.1021/jp510085r. Epub 2015 Jan 12. J Phys Chem A. 2015. PMID: 25531385

6

Description of Polar Chemical Bonds from the Quantum Mechanical Interference Perspective.

Fantuzzi F, Nascimento MA. Fantuzzi F, et al. J Chem Theory Comput. 2014 Jun 10;10(6):2322-32. doi: 10.1021/ct500334f. J Chem Theory Comput. 2014. PMID: 26580752

7

Diboryne Nanostructures Stabilized by Multitopic N-Heterocyclic Carbenes: A Computational Study.

Fantuzzi F, Coutinho CB, Oliveira RR, Nascimento MAC. Fantuzzi F, et al. Among authors: nascimento mac. Inorg Chem. 2018 Apr 2;57(7):3931-3940. doi: 10.1021/acs.inorgchem.8b00089. Epub 2018 Mar 9. Inorg Chem. 2018. PMID: 29521091

8

Soft X-ray Chlorine Photolysis on Chlorobenzene Ice: An Experimental and Theoretical Study.

Cabral Tenorio BN, Kruczkiewicz F, de Almeida Ribeiro F, Pinho Andrade DP, Riani de Luna HM, Boechat-Roberty HM, Nascimento MAC, Rocha AB, Wolff W. Cabral Tenorio BN, et al. Among authors: nascimento mac. J Phys Chem A. 2019 Feb 21;123(7):1389-1398. doi: 10.1021/acs.jpca.8b11530. Epub 2019 Feb 6. J Phys Chem A. 2019. PMID: 30673243

9

Mechanistic Insights into the Formation of Lithium Fluoride Nanotubes.

Fantuzzi F, Oliveira RR, Henkes AV, Rubayo-Soneira J, Nascimento MAC. Fantuzzi F, et al. Among authors: nascimento mac. Chemistry. 2019 Apr 5;25(20):5269-5279. doi: 10.1002/chem.201805991. Epub 2019 Mar 14. Chemistry. 2019. PMID: 30868682

10

Unexpected reversal of stability in strained systems containing one-electron bonds.

Fantuzzi F, Wolff W, Quitián-Lara HM, Boechat-Roberty HM, Hilgers G, Rudek B, Nascimento MAC. Fantuzzi F, et al. Among authors: nascimento mac. Phys Chem Chem Phys. 2019 Dec 7;21(45):24984-24992. doi: 10.1039/c9cp04964a. Epub 2019 Nov 11. Phys Chem Chem Phys. 2019. PMID: 31709438

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