Publications

How Do the Hückel and the Baird Rules Fade Away in Annulenes?
Casademont-Reig I., Ramos-Cordoba E., Torrent-Sucarrat M., Matito E.
Molecules, 2020, 25, 711

2019

Nine Questions in Energy Decomposition Analysis
Andrés J., Ayers P.W., Boto R.A., Carbó-Dorca R., Chermette H., Cioslowski J., Contreras-García J., Cooper D.L. Frenking G., Gatti C., Heidar-Zadeh F., Joubert L., Martín Pendás A., Matito E., Mayer I., Misquitta A.J., Mo Y., Pilmé J., Popelier P.L.A., Rahm M., Ramos-Cordoba E., Salvador P., Schwarz W.H.E., Shahbazian S., Silvi B., Solà M., Szalewicz K., Weinhold F., Zins E-L.
J. Comp. Chem., 2019, 40, 2248-2283

Partition of Optical Properties into Orbital Contributions
Sitkiewicz S., Rodríguez-Mayorga M., Luis J.M. , Matito E.
Phys. Chem. Chem. Phys., 2019, 21, 15380-15391

Singling Out Dynamic and Nondynamic Correlation
Via-Nadal M., Rodríguez-Mayorga M., Ramos-Cordoba E., Matito E.
J. Phys. Chem. Lett., 2019, 10, 4032-4037

Can Density Functional Theory Be Trusted for High-Order Electric Properties? The Case of Hydrogen-Bonded Complexes
Zalesny R., Medved M., Sitkiewicz S., Matito E., Luis J.M.
J. Chem. Theory Comput., 2019, 15, 3570-3579

The Coulomb Hole of the Ne Atom
Rodríguez-Mayorga M., Ramos-Cordoba E., Lopez X., Solà M., Ugalde J. M., Matito E.
ChemistryOpen, 2019, 8, 411

2018

The Electronic Structure and Stability of Germanium Tubes Ge30H12 and Ge33H12
Van Doung L., Matito E., Solà M., Behzadi H., Momeni M. J., Nguyen M. T.
Phys. Chem. Chem. Phys., 2018, 20, 23467-23479

Tuning the Affinity of Catechols and Salicylic Acids towards Al(III): Characterization of Al-Chelator Interactions
Dalla Torre G., Mujika J., Formoso E., Matito E., Ramos M., Lopez X.
Dalton Trans., 2018, 47, 9592-9607

Metal Cluster Electrides: A New Type of Molecular Electrides with Delocalised Polyattractor Character
El Bakouri O., Postils V., Garcia-Borràs M., Duran M., Luis J.M., Calvello S., Soncini A., Matito E., Feixas F., Solà M.
Chem. Eur. J., 2018, 24, 9853-9859

Rovibrational Quantum Chemical Analysis of c-C3H2: Overcoming the Failure of Correlation for Out-of-Plane Motions
Fortenberry R. C., Novak C. M., Layfield J. P., Matito E., Lee T. J.
J. Chem. Theory Comput, 2018, 14, 2155-2164

Electron-Pair Distribution in Chemical Bond Formation
Rodríguez-Mayorga M., Via-Nadal M., Solà M., Ugalde J. M., Lopez X., Matito E.
J. Phys. Chem. A, 2018, 122, 1916-1926, Manuel Yáñez and Otilia Mó Festschrift

New Electron Delocalization Tools to Describe the Aromaticity in Porphyrinoids
Casademont-Reig I., Woller T., Contreras-García J., Alonso M., Torrent-Sucarrat M., Matito E.
Phys. Chem. Chem. Phys., 2018, 20, 2787-2796

Transition Metal pi-Ligation of a Tetrahalodiborane
Braunschweig H., Dewhurst R.D., Jimenez-Halla J.O.C., Matito E., Muessig J.H.
Angew. Chem. Int. Ed., 2018, 57, 412-416

2017

Exploring the Relation between Intramolecular Conjugation and Band Dispersion in One-Dimensional Polymers
García-Fernández C., Sierda E., Abadía M., Bugenhagen B., Prosenc M. H., Wiesendanger R., Bazarnik M., Ortega J. E., Brede J., Matito E., Arnau A.
J. Phys. Chem. C, 2017, 121, 27118-27125

Salient Signature of van der Waals interactions
Via-Nadal M., Rodriguez-Mayorga M., Matito E.
Phys. Rev. A rapid comm., 2017, 96, 050501(R)

Comprehensive benchmarking of density matrix functional approximations
Rodriguez-Mayorga M., Ramos-Cordoba E., Via-Nadal M., Piris M., Matito E.
Phys. Chem. Chem. Phys., 2017, 19, 24029-24041

Local Descriptors of Dynamic and Nondynamic Correlation
Ramos-Cordoba E., Matito E.
J. Chem. Theory Comput., 2017, 13, 2705-2711

The Aromaticity of dicupra[10]annulenes
Grande-Aztatzi R., Mercero J.M., Matito E., Frenking G., Ugalde J.M.
Phys. Chem. Chem. Phys., 2017, 19, 9669-9675

Electron Correlation Effects in Third-Order Densities
Rodriguez-Mayorga M., Ramos-Cordoba E., Feixas F., Matito E.
Phys. Chem. Chem. Phys, 2017, 19, 4522-4529

Cycloreversion of the CO2 Trimer: a Paradigmatic Pseudopericyclic [2+2+2] Cycloaddition Reaction
López R.V., Faza O.N., Matito E., Lopez C.S.
Org. Biomol. Chem., 2017, 15, 435-441

2016

Computational Study of Radical Initiated Protein Back-bone Homolytic Dissociation on All Natural Amino Acids
Uranga, J., Lakuntza, O., Ramos-Cordoba, E., M. Matxain, J., Mujika, J.I.
Phys. Chem. Chem. Phys., 2016, 18, 30972-30981

The Electron-pair Density Distribution of the 1,3∏u Excited States of H2
Mercero J.M., Rodríguez-Mayorga M., Matito E., Lopez X., Ugalde J.M.
Can. J. Chem., 2016, 94, 998-1001

Peculiar All-Metal σ-Aromaticity of [Au2Sb16]4− Anion in Solid State
Popov I.A., Pan F-X., You X.R., Li L-J., Matito E., Sun Z-M., Liu C., Zhai H-J. Boldyrev A.I.
Angew. Chem. Int. Ed., 2016, 55, 15344-15346

Exact Exchange Functional for the Stretched Hydrogen Molecule
Matito E., Casanova D., Lopez X., Ugalde J.M.
Theor. Chem. Acc., 2016, 135, 226, Alberto Vela Festschrift

Fermi and Coulomb Correlation Effects Upon the Interacting Quantum Atoms Energy Partition
Ruíz-González I., Matito E., Holguín-Gallego F. J., Francisco E., Martín Pendás A., Rocha-Rinza T.
Theor. Chem. Acc., 2016, 135, 209, Alberto Vela Festschrift

Separation of Dynamic and Nondynamic Correlation
Ramos-Cordoba E., Salvador P., Matito E.
Phys. Chem. Chem. Phys, 2016, 18, 24015-24023

All-Metal Antiaromaticity in Sb4-Type Lanthanocene Anions
Min X., Popov I.A., Pan F-X., Li L-J., Matito E., Sun Z-M., Wang L-S., Boldyrev A.I.
Angew. Chem. Int. Ed., 2016, 55, 5531-5535, Article highlighted in: Chemical & Engineering News

Electronic Aromaticity Index For Large Rings
Matito E.
Phys. Chem. Chem. Phys., 2016, 18, 11839-11846

Rules of Aromaticity
Feixas F., Matito E., Poater J., Solà M.
In Applications of Topological Methods in Molecular Chemistry, E. Alikhani, R. Chauvin, C. Lepetit and B. Silvi, Eds., Challenges and Advances in Computational Chemistry and Physics Series, Springer, Berlin 2016, 22, Chapter 12, pp. 321-336

Bonding description of the Harpoon Mechanism
Rodriguez-Mayorga M., Ramos-Cordoba E., Salvador P., Solà M., Matito E.
Mol. Phys., 2016, 114, 1345-1355

2015

Oxidation states from wave function analysis
Ramos-Cordoba, E., Postils, V., Salvador, P.
J. Chem. Theory Comput., 2015, 11, 1501-1508

Robust Validation of Approximate 1-Matrix Functionals With Few-Electron Harmonium Atoms
Cioslowski J., Piris M., Matito E.
J. Chem. Phys., 2015, 143, 214101

H4: A Challenging System For Natural Orbital Functional Approximations
Ramos-Cordoba E., Lopez X., Piris M., Matito E.
J. Chem. Phys., 2015, 143, 164112

Quantifying aromaticity with electron delocalization measures
Feixas F., Matito E., Poater J., Solà M.
Chem. Soc. Rev., 2015, 44, 6434-6451

The Electron Structure of the Al3- Anion. Is it Aromatic?
Mercero J., Matito E., Ruiperez F., Infante I., Lopez X., Ugalde J.
Chem. Eur. J., 2015, 21, 9610-9614, VIP paper Frontispiece

A Theoretical Study of the Aromaticity in Neutral and Anionic Borole Compounds
Jimenez-Halla J.O.C, Matito E., Solà M., Braunschweig H., Hörl C., Krummenacher I., Wahler J.
Dalton Trans., 2015, 44, 6740-6747, Selected as hot article by editor

On the existence and characterization of molecular electrides
Postils V., Garcia-Borràs M., Solà M., Luis J.M., Matito E.
Chem. Comm., 2015, 51, 4865-4868, Article highlighted in: ChemistryWorld

Three-center bonding analyzed from correlated and uncorrelated third-order reduced density matrices
Feixas F., Rodríguez-Mayorga M., Matito E., Solà M.
Comp. Theor. Chem., 2015, 1053, 173-179

2014

Diradical character from the local spin analysis
Ramos-Cordoba, E., Salvador, P.
Phys. Chem. Chem. Phys., 2014, 16, 9565-9571

Characterization and Quantification of Polyradical Character
Ramos-Cordoba, E., Salvador, P.
J. Chem. Theory Comput., 2014, 10, 634-641

Two New Constraints for the Cumulant Matrix
Ramos-Cordoba E., Salvador P., Piris M., Matito E.
J. Chem. Phys., 2014, 141, 234101

Aromaticity of Organic and Inorganic Heterocycles
Feixas F., Poater J., Matito E., Solà M.
In Structure, Bonding and Reactivity of Heterocyclic compounds. Edited by Frank De Proft. Topics on Heterocyclic chemistry, 2014, 38, 129-160

New approximation to the third-order density. Application to the calculation of correlated multicenter indices
Feixas F., Solà M., Barroso J.M., Ugalde J.M., Matito E.
J. Chem. Theory Comput., 2014, 10, 3055-3065

Benchmark Calculations on the Lowest-Energy Singlet, Triplet, and Quintet States of the Four-Electron Harmonium Atom
Cioslowski J., Strasburger K., Matito E.
J. Chem. Phys, 2014, 141, 044128

Exploring the Potential Energy Surface of E2P4 clusters (E = Group 13 Element): The quest of inverse carbon-free sandwiches
Castro A.C., Osorio E., Cabellos J.L., Cerpa E., Matito E., Solà M., Swart M., Merino G.
Chem. Eur. J., 2014, 20, 4583-4590, Selected for inside cover

2013

Local Spin Analysis and Chemical Bonding
Ramos-Cordoba, E., Salvador, P., Reiher, M.
Chem. Eur. J., 2013, 19, 15267-15275

Communication: An approximation to Bader’s topological atom
Ramos-Cordoba, E., Salvador, P.
J. Chem. Phys., 2013, 139, 071103

The atomic orbitals of the topological atom
Ramos-Cordoba, E., Salvador, P., Mayer, I.
J. Chem. Phys., 2013, 138, 214107

Bonding Quandary in the [Cu3S2]3+ Core: Insights from the Analysis of Domain Averaged Fermi Holes and the Local Spin
Ponec, R., Ramos-Cordoba, E., Salvador, P.
J. Phys. Chem. A, 2013, 117, 1975-1982

Benchmark calculations of metal carbonyl cations: relativistic vs electron correlation effects
Matito E., Salvador P., Styszynski, J
Phys. Chem. Chem. Phys., 2013, 15, 20080-20090

Metalloaromaticity
Feixas F., Matito E., Poater J., Solà M.
WIREs Comput. Mol. Sci., 2013, 3, 105-122, Selected for the WATOC 2014 virtual issue

2012

Local spins: improved Hilbert-space analysis
Ramos-Cordoba E., Matito E., Mayer I., Salvador P.
Phys. Chem. Chem. Phys., 2012, 14, 15291-15298

The Molecular Structures of M2N22- (M and N = B, Al, and Ga) Clusters Using the Gradient Embedded Genetic Algorithm: a Strategy Towards the Design of New Molecules
Islas R., Poater J., Matito E., Solà M.
Phys. Chem. Chem. Phys., 2012, 14, 14850-14859

Performance of PNOF5 for radical formation reactions: Hydrogen abstraction, C-C and O-O homolytic bon cleavage in selected molecules
Lopez X., Ruipérez F., Piris M., Matxain J.M., Matito E., Ugalde J.M.
J. Chem. Theory Comput., 2012, 8, 2646-2652

The three-electron harmonium: the lowest-energy doublet and quadruplet states
Cioslowski J., Strasburger K., Matito E.
J. Chem. Phys., 2012, 136, 194112

Toward a unique definition of the local spin
Ramos-Cordoba E., Matito E., Mayer I., Salvador P.
J. Chem. Theory Comput., 2012, 8, 1270-1279

O-O bond formation mediated by a hexanuclear iron complex supported on a stannoxane core
Kundu S., Matito E., Walleck S., Heims F., Pfaff F.F., Rabay B., Luis J.M., Company A., Braun B., Glaser T., Ray K.
Chem. Eur. J., 2012, 18, 2787-2791

2011

Charge-transfer and the hydrogen bond: Spectroscopic and structural implications from electronic structure calculations
Ramos-Cordoba, E., Lambrecht, D., Head-Gordon, M.
Faraday Discuss, 2011, 150, 345-362

Electron Delocalization and Aromaticity in Low-Lying Excited States of Archetypal Organic Compounds
Feixas F., Vandenbussche J., Bultinck P., Matito E., Solà M.
Phys. Chem. Chem. Phys., 2011, 13, 20690-20703

Understanding Conjugation and Hyperconjugation from Electronic Delocalization Measures
Feixas F., Matito E., Poater J., Solà M.
J. Phys. Chem. A, 2011, 115, 13104-13113, Richard F.W. Bader Festschrift

Ab initio design of chelating ligands relevant to Alzheimer's disease. Influence of metalloaromaticity
Rimola A., Alí-Torres J., Rodríguez-Rodríguez C., González-Duarte P., Poater J., Matito E., Solà M., Sodupe M.
J. Phys. Chem. A, 2011, 115, 12659-1266, Richard F.W. Bader Festschrift

A new link between conceptual density functional theory and electron delocalization
Matito E., Putz M.V.
J. Phys. Chem. A, 2011, 115, 12459-12462, Richard F.W. Bader Festschrift

Electron Delocalization in Organic Chemistry
Matito E., Solà M.
Editorial. Curr. Org. Chem., 2011, 15, 3554

Benchmark FCI calculations on two lowest-energy states of the three-electron harmonium atom
Cioslowski J., Matito E.
J. Chem. Theory Comput., 2011, 7, 915-920

The weak correlation limit of three-electron harmonium atom
Cioslowski J., Matito E.
J. Chem. Phys., 2011, 134, 116101

Aromaticity and electronic delocalization in all-metal clusters with single, double, and triple aromatic character
Feixas F., Matito E., Duran M., Poater J., Solà M.
Theor. Chem. Acc., 2011, 128, 419-431

Performance of 3D-space based atoms in molecules methods for electronic delocalization aromaticity indices
Heyndrickx W., Salvador P., Bultinck P., Solà M., Matito E.
J. Comput. Chem., 2011, 32, 386-395

2010

Using electronic energy derivative information in automated potential energy surface construction for vibrational calculations
Sparta M., Hansen M.B., Matito E., Seidler P., Toffoli D., Christiansen O.
J. Chem. Theory Comput., 2010, 6, 3162-3175

Electron Localization Function at the Correlated Level: A Natural Orbital Formulation
Feixas F., Matito E., Duran M., Solà M., Silvi B.
J. Chem. Theory Comput, 2010, 6, 2736-2742

Scalar and Spin-Orbit Relativistic Corrections to the NICS and the Induced Magnetic Field: The case of the E122- spherenes (E = Ge, Sn, Pb)
Castro A.C., Osorio E., Jiménez-Halla J.O.C., Matito E., Tiznado W., Merino G.
J. Chem. Theory Comput., 2010, 6, 2701-2705

Calculation of Local Spins for Correlated Wavefunctions
Mayer I., Matito E.
Phys. Chem. Chem. Phys., 2010, 12, 11308-11314

Patterns of pi-electron delocalization in aromatic and antiaromatic organic compounds in the light of the Huckel's 4n+2 rule
Feixas F., Matito E., Solà M., Poater J.
Phys. Chem. Chem. Phys, 2010, 12, 7126

Properties of harmonium atoms from FCI calculations: calibration and benchmarks for the ground state of the two-electron species
Matito E., Cioslowski J., Vyboishchikov S. F.
Phys. Chem. Chem. Phys, 2010, 12, 6712

A Critical Assessment of the Performance of Magnetic and Electronic Indices of Aromaticity
Solà M., Feixas F., Jiménez-Halla J.O.C., Matito E., Poater J.
Symmetry, 2010, 2, 1156-1179

A test to evaluate the performance of aromaticity descriptors in all-metal and semi-metal clusters. An appraisal of electronic and magnetic indicators of aromaticity
Feixas F., Jiménez-Halla J.O.C., Matito E., Poater J., Solà M.
J. Chem. Theory Comput, 2010, 6, 1118-1130

Approximate inclusion of triples excitations in combined coupled cluster/molecular mechanics: Calculations of electronic excitation energies in solution for acrolein, water, formamide, and N-methylacetamide
Sneskov K., Matito E., Kongsted J., Christiansen O.
J. Chem. Theory Comput., 2010, 6, 839-850

2009

Tuning Aromaticity in Trigonal Alkaline Earth Metal Clusters and Their Alkali Metal Salts
Jiménez-Halla J.O.C., Matito E., Blancafort L., Robles J., Solà M.
J. Comput. Chem., 2009, 30, 2764
J. Comput. Chem., 2011, 32, 372

Vibrational Coupled Cluster Theory with Full Two-mode and Approximate Three-mode Couplings
Seidler P., Matito E., Christiansen O.
J. Chem. Phys., 2009, 131, 034115

The Vibrational Auto-adjusting Perturbation Theory (VAPT)
Matito E., Barroso J.M., Besalú E., Christiansen O., Luis J.M.
Theor. Chem. Acc., 2009, 123, 41-49, in the special issue Olivella Festschrift

A Hierarchy of Potential Energy Surfaces Constructed From Energies and Energy Derivatives Calculated on Grids
Matito E., Toffoli D., Christiansen O.
J. Chem. Phys., 2009, 130, 134104

The Role of Electronic Delocalization in Transition Metal Complexes From the Electron Localization Function and the Quantum Theory of Atoms in Molecules
Matito E., Solà M.
Chem. Coord. Rev., 2009, 253, 647-655

Aromaticity and Chemical Reactivity
Matito E., Poater J., Solà M., Schleyer, PvR
Chemical Reactivity Theory: A Density Functional View, Ed.,Taylor and Francis/CRC Press, pp. 419-438, 2009

Analysis of Hückel’s [4n+2] Rule Through Electronic delocalization measures
Feixas, F., Matito E., Poater J., Solà M.
J. Phys. Chem. A, 2008, 112, 13231-13238, in the special issue: Sason Shaik Festschrift

On the Performance of Some Aromaticity Indices: A Critical Assessment Using a Test Set
Feixas F., Matito E., Poater J., Solà M.
J. Comput. Chem., 2008, 29, 1543-1554

Comment to “A new population analysis: Dipole-moment-conserving charge-set”
Matito E.
Chem. Phys. Lett., 2008, 451, 169-170

2007

New solids based on B12N12 fullerenes
Matxain J.M., Eriksson L.A., Mercero J.M., Lopez X., Piris M., Ugalde J.M., Poater J., Matito E., Solà M.
J. Phys. Chem. C, 2007, 111, 13354-13360

Properties of Aromaticity Indices Based on the One-electron Density Matrix
Cioslowski J., Matito E., Solà M.
J. Phys. Chem. A, 2007, 111, 6521-6525

Aromaticity of Distorted Benzene Rings. Exploring the Validity of Different Indicators of Aromaticity
Feixas F., Matito E., Poater J., Solà M.
J. Phys. Chem. A, 2007, 111, 4513-4521

Is the aromaticity of the benzene ring in the (h6-C6H6)Cr(CO)3 complex larger than that of the isolated benzene molecule?
Feixas F., Jiménez-Halla J.O.C., Matito E., Poater J., Solà M.
Pol J. Chem., 2007, 81, 783-797

Electron Delocalization and Aromaticity Measures within the Hückel Molecular Orbital Method
Matito E., Feixas F., Solà M.
J. Mol. Struct. (THEOCHEM), 2007, 811, 3-11

Aromaticity Analyses by Means of the Quantum Theory of Atoms in Molecules
Matito E., Poater J., Solà M.
The Quantum Theory of Atoms in Molecules From Solid State to DNA and Drug Design, R. J. Boyd and C. F. Matta, Eds., Wiley-VCH, New York, 2007

Electron Sharing Indexes at the Correlated Level. Application to Aromaticity Measures
Matito E., Solà M., Salvador P., Duran M.
Faraday Discuss, 2007, 135, 325-345
Matito E., Poater J., Solà M.; Aromaticity Analyses by Means of the Quantum Theory of Atoms in Molecules. The Quantum Theory of Atoms in Molecules From Solid State to DNA and Drug Design R. J. Boyd and C. F. Matta, Eds., Wiley-VCH, New York; 2007; https://onlinelibrary.wiley.com/doi/pdf/10.1002/9783527610709.ch15 Faraday Discussions 135. Forum discussions:
Matito E., Salvador P., Faraday Discuss, 2007, 135, 125-149 (see pg. 130-131)
Matito E., Faraday Discuss, 2007, 135, 135, 367-401 (see pg. 388)
Matito E., Solà M., Faraday Discuss, 2007, 135, 367-401 (see pg. 388-389)
Matito E., Salvador P., Solà M., Faraday Discuss, 2007, 135, 367-401 (see pg. 389-392)
Matito E., Solà M., Faraday Discuss, 2007, 135, 367-401 (see pg. 400)

2006

Nucleus-Independent Chemical Shift (NICS) Profiles in a Series of Monocyclic Planar Inorganic Compounds
Jiménez-Halla J.O.C., Matito E., Robles J., Solà M.
J. Organomet. Chem., 2006, 691, 4359-4366

Analysis of Electron Delocalization in Aromatic Systems: Individual Molecular Orbital Contributions to Para-Delocalization Indexes (PDI)
Güell M., Matito E., Luis J.M., Poater J., Solà M.
J. Phys. Chem. A, 2006, 110, 11569-11574

Electron Localization Function at the Correlated Level
Matito E., Silvi B., Duran M., Solà M.
J. Chem. Phys., 2006, 125, 024301

A Novel Exploration of the Hartree–Fock Homolytic Bond Dissociation Problem in the Hydrogen Molecule by Means of Electron Localization Measures
Matito E., Duran M., Solà M.
J. Chem. Educ., 2006, 83, 1243-1248

Aromaticity measures from Fuzzy-Atom Bond Orders. The aromatic fluctuation (FLU) and the Para-Delocalization (PDI) indexes
Matito E., Salvador P., Duran M., Solà M.
J. Phys. Chem. A, 2006, 110, 5108-5113

Bonding in Methylalkalimetal (CH3M)n (M = Li – K, n = 1, 4). Agreement and Divergences between AIM and ELF Analyses
Matito E., Poater J., Bickelhaupt M., Solà M.
J. Phys. Chem. B, 2006, 110, 7189-7198

Bond centred functions in relativistic and non-relativistic calculations for diatomics
Matito E., Kobus J., Styszynski J.
Chem. Phys., 2006, 321, 277-284

Electron fluctuation in pericyclic and pseudopericyclic reactions
Matito E., Poater J., Duran M., Solà M.
ChemPhysChem, 2006, 7, 111-113

2005

Comparison of the AIM Delocalization Index and the Mayer and Fuzzy Atom Bond Orders
Matito E., Poater J., Solà M., Duran M., Salvador P.
J. Phys. Chem. A, 2005, 109, 9904-9910

An analysis of the changes in aromaticity and planarity along the reaction path of the simplest Diels-Alder reaction. Exploring the validity of different indicators of aromaticity
Matito E., Poater J., Duran M., Solà M.
J. Mol. Struct. (THEOCHEM), 2005, 727, 165-171

The aromatic fluctuation index (FLU): A new aromaticity index based on electron delocalization
Matito E., Duran M., Solà M.
J. Chem. Phys., 2005, 122, 014109
J. Chem. Phys., 2006, 125, 059901

Comment on "Nature of Bonding in the Thermal Cyclization of (Z)-1,2,4,6-Heptatetraene and its Heterosubstituted Analogues"
Matito E., Solà M., Duran M., Poater J.
J. Phys. Chem. B, 2005, 109, 7591-7593