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Chemical Stabilization of [4]Cycloparaphenylene via Encapsulation of Alkaline-earth Metals

Chemistry letters, 2023-03, Vol.52 (3), p.181-184

Pichierri, Fabio

2023

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Isomers and neutral precursors of the cyclopentenium ion, cyclo-C5H7+: structural diversity, vibrational spectra, and charge distribution

Structural chemistry, 2023-12, Vol.34 (6), p.2237-2247

Pichierri, Fabio

2023

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Tri-tert-butyl methane and its halogen analogues: a computational study of intramolecular interactions in a family of sterically crowded molecules

Structural chemistry, 2023-02, Vol.34 (1), p.251-263

Pichierri, Fabio

2023

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Adamantane template effect on the self-assembly of a molecular tetrahedron: A theoretical analysis

Chemical physics letters, 2018-12, Vol.713, p.149-152

Pichierri, Fabio

2018

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Substituent effects in cubane and hypercubane: a DFT and QTAIM study

Theoretical chemistry accounts, 2017-09, Vol.136 (9), p.1-10, Article 114

Pichierri, Fabio

2017

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Theoretical study of piezoelectrochemical reactions in molecular compression chambers: In-situ generation of molecular hydrogen

Chemical physics letters, 2016-09, Vol.661, p.125-130

Pichierri, Fabio

2016

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Macrocycles for the complexation of radiocesium: a concise review of crystallographic and computational studies

Journal of radioanalytical and nuclear chemistry, 2017-02, Vol.311 (2), p.1251-1263

Pichierri, Fabio

2017

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Computational design of cucurbituril-acene hybrids for the optical detection of cesium ions: DFT and TD-DFT studies

Theoretical chemistry accounts, 2016-03, Vol.135 (3), Article 61

Pichierri, Fabio

2016

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DFT study of caesium ion complexation by cucurbit[n]urils (n = 5-7)

Dalton transactions : an international journal of inorganic chemistry, 2013-05, Vol.42 (17), p.683-691

Pichierri, Fabio

2013

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Molecular structures of two tetrodotoxin analogs containing a monooxa-hydrocarbon cage: A computational study

Journal of molecular structure, 2016-02, Vol.1106, p.407-415

Pichierri, Fabio

2016

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Hypercubane: DFT-based prediction of an O-symmetric double-shell hydrocarbon

Chemical physics letters, 2014-09, Vol.612, p.198-202

Pichierri, Fabio

2014

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Theoretical study of the interaction between carbon-carbon triple bonds in cyclic diynes: a combined DFT and QTAIM approach

Structural chemistry, 2017-10, Vol.28 (5), p.1479-1485

Pichierri, Fabio

2017

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Computational design of soft materials for the capture of Cs-137 in contaminated environments: From 2D covalent cucurbituril networks to 3D supramolecular materials

AIP Conference Proceedings, 2016, Vol.1763 (1)

2016

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Binding of molecular hydrogen to halide anions: A computational exploration of eco-friendly materials for hydrogen storage

Chemical physics letters, 2012-01, Vol.519, p.83-88

Pichierri, Fabio

2012

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Boron-nitrogen analogues of cyclo[18]carbon

Chemical physics letters, 2020-01, Vol.738, p.136860, Article 136860

Pichierri, Fabio

2020

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Theoretical insights into the nature of the bonding between carbon monoxide and iron(II) phthalocyanine: How do QTAIM descriptors change as a function of the Fe–CO distance?

Chemical physics letters, 2022-10, Vol.804, p.139901, Article 139901

Pichierri, Fabio

2022

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Auride ion interaction with borane: A theoretical study of AuBH3

Chemical physics letters, 2022-02, Vol.788, p.139288, Article 139288

Pichierri, Fabio

2022

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Effect of Fluorine Substitution on the Aromaticity of Polycyclic Hydrocarbons

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2012-10, Vol.116 (41), p.10257-10268

2012

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Comment on “Revealing the new structure of B8N8 nanocage and comparison of hydrogen storage capacity” [Chem. Phys. 559 (2022) 111540]

Chemical physics, 2022-10, Vol.562, p.111673, Article 111673

Pichierri, Fabio

2022

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Mechanism of diffusion slowdown in confined liquids

Physical review letters, 2012-11, Vol.109 (19), p.197801-197801, Article 197801

2012

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IYPt is a highly polar, nonlinear triatomic molecule

Chemical physics letters, 2020-05, Vol.746, p.137307, Article 137307

Pichierri, Fabio

2020

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Corrigendum to “Boron-nitrogen analogues of cyclo[18]carbon” [Chem. Phys. Lett. 738 (2020) 136860]

Chemical physics letters, 2020-01, Vol.738, p.136909, Article 136909

Pichierri, Fabio

2020

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Calculation of absorption and emission spectra of [n]cycloparaphenylenes: the reason for the large Stokes shift

Physical chemistry chemical physics : PCCP, 2010-01, Vol.12 (11), p.2751-2757

2010

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Aromatic pathways in mono- and bisphosphorous singly Möbius twisted [28] and [30]hexaphyrins

Physical chemistry chemical physics : PCCP, 2011-01, Vol.13 (46), p.20659-20665

2011

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Oxidation of nitroxyl radicals: electrochemical and computational studies

Tetrahedron letters, 2012-04, Vol.53 (16), p.2070-2073

2012

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Chemical Stabilization of [4]Cycloparaphenylene via Encapsulation of Alkaline-earth Metals

Isomers and neutral precursors of the cyclopentenium ion, cyclo-C5H7+: structural diversity, vibrational spectra, and charge distribution

Tri-tert-butyl methane and its halogen analogues: a computational study of intramolecular interactions in a family of sterically crowded molecules

Adamantane template effect on the self-assembly of a molecular tetrahedron: A theoretical analysis

Substituent effects in cubane and hypercubane: a DFT and QTAIM study

Theoretical study of piezoelectrochemical reactions in molecular compression chambers: In-situ generation of molecular hydrogen

Macrocycles for the complexation of radiocesium: a concise review of crystallographic and computational studies

Computational design of cucurbituril-acene hybrids for the optical detection of cesium ions: DFT and TD-DFT studies

DFT study of caesium ion complexation by cucurbit[n]urils (n = 5-7)

Molecular structures of two tetrodotoxin analogs containing a monooxa-hydrocarbon cage: A computational study

Hypercubane: DFT-based prediction of an O-symmetric double-shell hydrocarbon

Theoretical study of the interaction between carbon-carbon triple bonds in cyclic diynes: a combined DFT and QTAIM approach

Computational design of soft materials for the capture of Cs-137 in contaminated environments: From 2D covalent cucurbituril networks to 3D supramolecular materials

Binding of molecular hydrogen to halide anions: A computational exploration of eco-friendly materials for hydrogen storage

Boron-nitrogen analogues of cyclo[18]carbon

Theoretical insights into the nature of the bonding between carbon monoxide and iron(II) phthalocyanine: How do QTAIM descriptors change as a function of the Fe–CO distance?

Auride ion interaction with borane: A theoretical study of AuBH3

Effect of Fluorine Substitution on the Aromaticity of Polycyclic Hydrocarbons

Comment on “Revealing the new structure of B8N8 nanocage and comparison of hydrogen storage capacity” [Chem. Phys. 559 (2022) 111540]

Mechanism of diffusion slowdown in confined liquids

IYPt is a highly polar, nonlinear triatomic molecule

Corrigendum to “Boron-nitrogen analogues of cyclo[18]carbon” [Chem. Phys. Lett. 738 (2020) 136860]

Calculation of absorption and emission spectra of [n]cycloparaphenylenes: the reason for the large Stokes shift

Aromatic pathways in mono- and bisphosphorous singly Möbius twisted [28] and [30]hexaphyrins

Oxidation of nitroxyl radicals: electrochemical and computational studies

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