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Mechanical Isolation of Highly Stable Antimonene under Ambient Conditions

Advanced materials (Weinheim), 2016-08, Vol.28 (30), p.6332-6336

2016

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Molecular Growth Inside of Polycyclic Aromatic Hydrocarbon Clusters Induced by Ion Collisions

The journal of physical chemistry letters, 2015-05, Vol.6 (9), p.1536-1542

2015

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Key Structural Motifs To Predict the Cage Topology in Endohedral Metallofullerenes

Journal of the American Chemical Society, 2016-02, Vol.138 (5), p.1551-1560

2016

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Polypeptide formation in clusters of β-alanine amino acids by single ion impact

Nature communications, 2020-07, Vol.11 (1), p.3818-3818, Article 3818

2020

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Topology-Based Approach to Predict Relative Stabilities of Charged and Functionalized Fullerenes

Journal of chemical theory and computation, 2018-03, Vol.14 (3), p.1791-1810

2018

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Relative Stability of Empty Exohedral Fullerenes: π Delocalization versus Strain and Steric Hindrance

Journal of the American Chemical Society, 2017-02, Vol.139 (4), p.1609-1617

2017

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Long-range magnetic order in a purely organic 2D layer adsorbed on epitaxial graphene

Nature physics, 2013-06, Vol.9 (6), p.368-374

2013

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Theoretical Study of NO Dissociation on an Open Flat Ru(101̅1) Surface

Journal of physical chemistry. C, 2019-03, Vol.123 (9), p.5488-5494

2019

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When is the Bell-Evans-Polanyi principle fulfilled in Diels-Alder reactions of fullerenes?

Physical chemistry chemical physics : PCCP, 2020-04, Vol.22 (16), p.8846-8852

2020

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Theoretical Study of Structural and Electronic Trends of the Sulfonylurea Herbicides Family

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2024-07, Vol.128 (29), p.5941-5953

2024

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Reactivity of alloxydim herbicide: force and reaction electronic flux profiles

Theoretical chemistry accounts, 2023-10, Vol.142 (10), Article 93

2023

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Simple bond patterns predict the stability of Diels-Alder adducts of empty fullerenes

Chemical communications (Cambridge, England), 2018, Vol.54 (33), p.4156-4159

2018

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Hydrogenated polycyclic aromatic hydrocarbons: isomerism and aromaticity

Physical chemistry chemical physics : PCCP, 2020-10, Vol.22 (38), p.21968-21976

2020

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Furan Fragmentation in the Gas Phase: New Insights from Statistical and Molecular Dynamics Calculations

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2018-04, Vol.122 (16), p.4153-4166

2018

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Isomers of Hydrogenated Polycyclic Aromatic Hydrocarbons Explain the Presence of Infrared Bands in the 3 μm Region

The Astrophysical journal, 2020-08, Vol.899 (1), p.18

2020

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Charge-transfer-induced structural rearrangements at both sides of organic/metal interfaces

Nature chemistry, 2010-05, Vol.2 (5), p.374-379

2010

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Cage connectivity and frontier π orbitals govern the relative stability of charged fullerene isomers

Nature chemistry, 2015-11, Vol.7 (11), p.927-934

2015

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One-Electron Oxidation Potentials and Hole Delocalization in Heterogeneous Single-Stranded DNA

Biochemistry (Easton), 2023-11, Vol.62 (22), p.3312-3322

2023

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Foreword to the special issue on the “Electronic structure: principles and applications (ESPA 2018)” conference

Theoretical chemistry accounts, 2020, Vol.139 (4), p.86-86, Article 86

2020

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Dynamics of Glycine Dications in the Gas Phase: Ultrafast Intramolecular Hydrogen Migration versus Coulomb Repulsion

The journal of physical chemistry letters, 2013-11, Vol.4 (22), p.3903-3909

2013

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M3C: A Computational Approach To Describe Statistical Fragmentation of Excited Molecules and Clusters

Journal of chemical theory and computation, 2017-03, Vol.13 (3), p.992-1009

2017

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Computational Study of the Structure and Degradation Products of Alloxydim Herbicide

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2018-04, Vol.122 (15), p.3909-3918

2018

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Adsorption of Benzene on Cu(100) and on Cu(100) Covered with an Ultrathin NaCl Film: Molecule–Substrate Interaction and Decoupling

Journal of physical chemistry. C, 2015-02, Vol.119 (8), p.4062-4071

2015

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Multiple ionization and hydrogen loss from neutral and positively-charged coronene

The Journal of chemical physics, 2014-05, Vol.140 (20), p.204307-204307

2014

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Generalized structural motif model for studying the thermodynamic stability of fullerenes: from C 60 to graphene passing through giant fullerenes

Physical chemistry chemical physics : PCCP, 2017-08, Vol.19 (30), p.19646-19655

2017

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Mechanical Isolation of Highly Stable Antimonene under Ambient Conditions

Molecular Growth Inside of Polycyclic Aromatic Hydrocarbon Clusters Induced by Ion Collisions

Key Structural Motifs To Predict the Cage Topology in Endohedral Metallofullerenes

Polypeptide formation in clusters of β-alanine amino acids by single ion impact

Topology-Based Approach to Predict Relative Stabilities of Charged and Functionalized Fullerenes

Relative Stability of Empty Exohedral Fullerenes: π Delocalization versus Strain and Steric Hindrance

Long-range magnetic order in a purely organic 2D layer adsorbed on epitaxial graphene

Theoretical Study of NO Dissociation on an Open Flat Ru(101̅1) Surface

When is the Bell-Evans-Polanyi principle fulfilled in Diels-Alder reactions of fullerenes?

Theoretical Study of Structural and Electronic Trends of the Sulfonylurea Herbicides Family

Reactivity of alloxydim herbicide: force and reaction electronic flux profiles

Simple bond patterns predict the stability of Diels-Alder adducts of empty fullerenes

Hydrogenated polycyclic aromatic hydrocarbons: isomerism and aromaticity

Furan Fragmentation in the Gas Phase: New Insights from Statistical and Molecular Dynamics Calculations

Isomers of Hydrogenated Polycyclic Aromatic Hydrocarbons Explain the Presence of Infrared Bands in the 3 μm Region

Charge-transfer-induced structural rearrangements at both sides of organic/metal interfaces

Cage connectivity and frontier π orbitals govern the relative stability of charged fullerene isomers

One-Electron Oxidation Potentials and Hole Delocalization in Heterogeneous Single-Stranded DNA

Foreword to the special issue on the “Electronic structure: principles and applications (ESPA 2018)” conference

Dynamics of Glycine Dications in the Gas Phase: Ultrafast Intramolecular Hydrogen Migration versus Coulomb Repulsion

M3C: A Computational Approach To Describe Statistical Fragmentation of Excited Molecules and Clusters

Computational Study of the Structure and Degradation Products of Alloxydim Herbicide

Adsorption of Benzene on Cu(100) and on Cu(100) Covered with an Ultrathin NaCl Film: Molecule–Substrate Interaction and Decoupling

Multiple ionization and hydrogen loss from neutral and positively-charged coronene

Generalized structural motif model for studying the thermodynamic stability of fullerenes: from C 60 to graphene passing through giant fullerenes

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