Publications
2011-2017
2017
[15] Physical Chemistry Chemical Physics
On the metastability of doubly charged homonuclear diatomics
F. Fantuzzi, T. M. Cardozo, M. A. C. Nascimento
Phys. Chem. Chem. Phys. 2017, 19, 19352–19359. DOI: 10.1039/C7CP02792C
[14] Computational and Theoretical Chemistry
Chemical bonding in the pentagonal-pyramidal benzene dication and analogous isoelectronic hexa-coordinate species
F. Fantuzzi, D. W. O. de Sousa, M. A. C. Nascimento
Comput. Theor. Chem. 2017, 1116, 225–233. DOI: 10.1016/j.comptc.2017.03.020
Special Issue: Understanding Chemistry and Biochemistry Using Computational Valence Bond Theory
[13] ChemistrySelect
The Nature of the Chemical Bond from a Quantum Mechanical Interference Perspective
F. Fantuzzi, D. W. O. de Sousa, M. A. C. Nascimento
ChemistrySelect 2017, 2, 604–619. DOI: 10.1002/slct.201601535
Review Paper
2016
[12] Astrophysical Journal
Single and Double Photoionization and Photodissociation of Toluene by Soft X-rays in a Circumstellar Environment
T. Monfredini, F. Fantuzzi, M. A. C. Nascimento, W. Wolff, H. M. Boechat-Roberty
Astrophys. J. 2016, 821, 4. DOI: 10.3847/0004-637X/821/1/4
[11] ChemPhysChem
The Nature of the Singlet and Triplet States of Cyclobutadiene as Revealed by Quantum Interference
F. Fantuzzi, T. M. Cardozo, M. A. C. Nascimento
ChemPhysChem 2016, 17, 288–295. DOI: 10.1002/cphc.201500885
2015
[10] Chemistry - A European Journal
Prediction of Boron-Boron Triple-Bond Polymers Stabilized by Janus-Type bis(N-Heterocyclic) Carbenes
F. Fantuzzi, M. A. C. Nascimento
Chem. Eur. J. 2015, 21, 7814–7819. DOI: 10.1002/chem.201500241
[9] Journal of Physical Chemistry A
Nature of the Chemical Bond and Origin of the Inverted Dipole Moment in Boron Fluoride: A Generalized Valence Bond Approach
F. Fantuzzi, T. M. Cardozo, M. A. C. Nascimento
J. Phys. Chem. A 2015, 119, 5335–5343. DOI: 10.1021/jp510085r
2014
[8] Journal of Chemical Theory and Computation
Description of Polar Chemical Bonds from the Quantum Mechanical Interference Perspective
F. Fantuzzi, M. A. C. Nascimento
J. Chem. Theory Comput. 2014, 10, 2322–2332. DOI: 10.1021/ct500334f
[7] Physical Chemistry Chemical Physics
The Non-Covalent Nature of the Molecular Structure of the Benzene Molecule
T. M. Cardozo, F. Fantuzzi, M. A. C. Nascimento
Phys. Chem. Chem. Phys. 2014, 16, 11024–11030. DOI: 10.1039/C3CP55256J
2013
[5] Journal of Physical Chemistry A
Interference Energy in C–H and C–C Bonds of Saturated Hydrocarbons: Dependence on the Type of Chain and Relationship to Bond Dissociation Energy
F. S. Vieira, F. Fantuzzi, T. M. Cardozo, M. A. C. Nascimento
J. Phys. Chem. A 2013, 117, 4025–4034. DOI: 10.1021/jp4005746
[4] Chemical Physics
Theoretical and Experimental Investigation of the Stability of CₙH⁻ (n = 1–6) and CₙHₓ⁺ (n = 1–4) Clusters
F. Fantuzzi, L. Baptista, A. B. Rocha, E. F. Silveira
Chem. Phys. 2013, 410, 109–117. DOI: 10.1016/j.chemphys.2012.11.010
2012
[3] Physical Chemistry Chemical Physics
The role of quantum-mechanical interference and quasi-classical effects in conjugated hydrocarbons
F. Fantuzzi, T. M. Cardozo, M. A. C. Nascimento
Phys. Chem. Chem. Phys. 2012, 14, 5479–5488. DOI: 10.1039/C2CP24125K
[2] International Journal of Quantum Chemistry
Positive Molecular Ions and Ion–Neutral Complexes in the Gas Phase: Structure and Stability of C₂H₄O₂⁺· and C₂H₄O₂²⁺ Isomers
F. Fantuzzi, L. Baptista, A. B. Rocha, H. M. Boechat-Roberty
Int. J. Quantum Chem. 2012, 112, 3303–3311. DOI: 10.1002/qua.24181
Special Issue: The Brazilian Symposium on Theoretical Chemistry
2011
[1] Monthly Notices of the Royal Astronomical Society
Photodissociation of Methyl Formate in Circumstellar Environment: Stability under Soft X-Rays
F. Fantuzzi, S. Pilling, A. C. F. Santos, L. Baptista, A. B. Rocha, H. M. Boechat-Roberty
Mon. Not. R. Astron. Soc. 2011, 417, 2631–2641. DOI: 10.1111/j.1365-2966.2011.19424.x