PUBLICATIONS
Category A: Electronic Structure and Reactivity of Main-Group and Organometallic Systems
Category B: Valence Bond Theory and the Interference Energy Analysis
Category C: Molecular Astrochemistry: Structure and Spectroscopy
2017
[15] Phys. Chem. Chem. Phys. 2017, 19, 19352–19359.
On the metastability of doubly charged homonuclear diatomics
Category B
Valence Bond Theory and the Interference Energy Analysis
F. Fantuzzi, T. M. Cardozo, M. A. C. Nascimento
DOI: 10.1039/C7CP02792C
[14] Comp. Theor. Chem. 2017, 1116, 225–233.
Chemical bonding in the pentagonal-pyramidal benzene dication and analogous isoelectronic hexa-coordinate species
Category B
Valence Bond Theory and the Interference Energy Analysis
F. Fantuzzi, D. W. O. de Sousa, M. A. C. Nascimento
Special Issue: Understanding Chemistry and Biochemistry Using Computational Valence Bond Theory
[13] ChemistrySelect 2017, 2, 604–619.
The Nature of the Chemical Bond from a Quantum Mechanical Interference Perspective
Category B
Valence Bond Theory and the Interference Energy Analysis
F. Fantuzzi, D. W. O. de Sousa, M. A. C. Nascimento
Review Paper
2016
[12] ChemPhysChem, 2016, 17, 288–295.
The Nature of the Singlet and Triplet States of Cyclobutadiene as Revealed by Quantum Interference
Category B
Valence Bond Theory and the Interference Energy Analysis
F. Fantuzzi, T. M. Cardozo, M. A. C. Nascimento
DOI: 10.1002/cphc.201500885
[11] Astrophys. J. 2016, 821.
Single and Double Photoionization and Photodissociation of Toluene by Soft X-rays in a Circumstellar Environment
Category C
Molecular Astrochemistry: Structure and Spectroscopy
T. Monfredini, F. Fantuzzi, M. A. C. Nascimento, W. Wolff, H. M. Boechat-Roberty
Highlighted in AstroPAH; Highlighted in Destaques do IF/UFRJ
2015
[10] Chem. Eur. J. 2015, 21, 7814–7819.
Prediction of Boron-Boron Triple-Bond Polymers Stabilized by Janus-Type bis(N-Heterocyclic) Carbenes
Category A
Electronic Structure and Reactivity of Main-Group and Organometallic Systems
F. Fantuzzi, M. A. C. Nascimento
DOI: 10.1002/chem.201500241
[9] J. Phys. Chem. A 2015, 119, 5335–5343.
Nature of the Chemical Bond and Origin of the Inverted Dipole Moment in Boron Fluoride: A Generalized Valence Bond Approach
Category B
Valence Bond Theory and the Interference Energy Analysis
F. Fantuzzi, T. M. Cardozo, M. A. C. Nascimento
DOI: 10.1021/jp510085r
2014
[8] Synlett 2014, 25, 1043–1044.
Mercury(II) Chloride
Category A
Electronic Structure and Reactivity of Main-Group and Organometallic Systems
F. Fantuzzi
DOI: 10.1055/s-0033-1340958
[7] J. Chem. Theory Comput. 2014, 10, 2322–2332.
Description of Polar Chemical Bonds from the Quantum Mechanical Interference Perspective
Category B
Valence Bond Theory and the Interference Energy Analysis
F. Fantuzzi, M. A. C. Nascimento
DOI: 10.1021/ct500334f
[6] Phys. Chem. Chem. Phys. 2014, 16, 11024–11030.
The Non-Covalent Nature of the Molecular Structure of the Benzene Molecule
Category B
Valence Bond Theory and the Interference Energy Analysis
T. M. Cardozo, F. Fantuzzi, M. A. C. Nascimento
DOI: 10.1039/C3CP55256J
2013
[5] J. Phys. Chem. A 2013, 117, 4025–4034.
Interference Energy in C–H and C–C Bonds of Saturated Hydrocarbons: Dependence on the Type of Chain and Relationship to Bond Dissociation Energy
Category B
Valence Bond Theory and the Interference Energy Analysis
F. S. Vieira, F. Fantuzzi, T. M. Cardozo, M. A. C. Nascimento
DOI: 10.1021/jp4005746
[4] Chem. Phys. 2013, 410, 109–117.
Theoretical and Experimental Investigation on the Stability of Cn=1-6H– and Cn=1-4Hx+ Clusters
Category C
Molecular Astrochemistry: Structure and Spectroscopy
F. Fantuzzi, L. Baptista, A. B. Rocha, E. F. Silveira
DOI: 10.1016/j.chemphys.2012.11.010
2012
[3] Phys. Chem. Chem. Phys. 2012, 14, 5479–5488.
The role of quantum-mechanical interference and quasi-classical effects in conjugated hydrocarbons
Category B
Valence Bond Theory and the Interference Energy Analysis
F. Fantuzzi, T. M. Cardozo, M. A. C. Nascimento
DOI: 10.1039/C2CP24125K
[2] Int. J. Quantum Chem. 2012, 112, 3303–3311.
Positive Molecular Ions and Ion-Neutral Complexes in the Gas Phase: Structure and Stability of C2H4O2(+) and C2H4O2(2+) Isomers
Category C
Molecular Astrochemistry: Structure and Spectroscopy
F. Fantuzzi, L. Baptista, A. B. Rocha, H. M. Boechat-Roberty
Special Issue: The Brazilian Symposium on Theoretical Chemistry
DOI: 10.1002/qua.24181
2011
[1] Mon. Not. R. Astron. Soc. 2011, 417, 2631–2641.
Photodissociation of Methyl Formate in Circumstellar Environment: Stability under Soft X-Rays
Category C
Molecular Astrochemistry: Structure and Spectroscopy
F. Fantuzzi, S. Pilling, A. C. F. Santos, L. Baptista, A. B. Rocha, H. M. Boechat-Roberty
DOI: 10.1111/j.1365-2966.2011.19424.x