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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

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[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

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[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

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[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

DOI: 10.1002/slct.201601535

2016

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[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

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[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

DOI: 10.3847/0004-637X/821/1/4

2015

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[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

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[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

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[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

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[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

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[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

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[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

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[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

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[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

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[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

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[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

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