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Not Only Hydrogen Bonds: Other Noncovalent Interactions

Crystals (Basel), 2020-03, Vol.10 (3), p.180

2020

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On the Reliability of Pure and Hybrid DFT Methods for the Evaluation of Halogen, Chalcogen, and Pnicogen Bonds Involving Anionic and Neutral Electron Donors

Journal of chemical theory and computation, 2013-11, Vol.9 (11), p.5201-5210

2013

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Polymorphism and Desmotropy in Heterocyclic Crystal Structures

Crystal growth & design, 2011-11, Vol.11 (11), p.4731-4738

Elguero, José

2011

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Pnicogen Bonded Complexes of PO2X (X = F, Cl) with Nitrogen Bases

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-10, Vol.117 (40), p.10497-10503

2013

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An ab Initio Study of High‐Energetic Trioxatriazinane Derivatives: Conformational Analysis, Nitrogen Inversion, Heats of Formation, Dissociation Reaction, and Dimerization

Chemphyschem, 2024-04, Vol.25 (7), p.e202400040-n/a

2024

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The reciprocal SN2 and SE2 reactions of ammonia borane

Chemical physics letters, 2022-11, Vol.806, p.140051, Article 140051

2022

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A DFT study of the tautomerism of 1H-benzo[de]cinnolines and their protonated forms

Theoretical chemistry accounts, 2022-04, Vol.141 (4), Article 26

2022

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Cooperativity in Tetrel Bonds

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2016-02, Vol.120 (4), p.648-656

2016

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The dubious origin of beryllium toxicity

Structural chemistry, 2023-04, Vol.34 (2), p.391-398

2023

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Spodium Bonds: Noncovalent Interactions Involving Group 12 Elements

Angewandte Chemie (International ed.), 2020-09, Vol.59 (40), p.17482-17487

International ed. in English, 2020

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A Conceptual DFT Study of Phosphonate Dimers: Dianions Supported by H‑Bonds

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2020-03, Vol.124 (11), p.2207-2214

2020

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Carbon–Carbon Bonding between Nitrogen Heterocyclic Carbenes and CO2

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2017-10, Vol.121 (42), p.8136-8146

2017

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Borotropy: The Mechanism of Boron Transfer Between Adjacent N‐Atoms of Pyrazol‐1‐yl Rings

Helvetica chimica acta, 2023-09, Vol.106 (9)

2023

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A LFER analysis of the singlet-triplet gap in a series of sixty-six carbenes

Chemical physics letters, 2018-01, Vol.691, p.33-36

2018

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Structures, Energies, Bonding, and NMR Properties of Pnicogen Complexes H2XP:NXH2 (X  H, CH3, NH2, OH, F, Cl)

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2011-11, Vol.115 (46), p.13724-13731

2011

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X‑ray Molecular Structures of 23 N1-4-Nitrophenyl, 2,4-Dinitrophenyl, and 2,4,6-Trinitrophenyl-2-pyrazolines

Crystal growth & design, 2023-02, Vol.23 (2), p.1145-1161

2023

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Sequestration of Carbon Dioxide with Frustrated Lewis Pairs Based on N‑Heterocycles with Silane/Germane Groups

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2021-08, Vol.125 (32), p.6976-6984

2021

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A theoretical study of the valence tautomerism of 1H-pyrazolium-4-olates (X = O) and related compounds (X = S, Se, NH): relative stabilities, protonation effects, and tautomerization barriers

Structural chemistry, 2022-12, Vol.33 (6), p.1983-1995

2022

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Rotational Behavior of N‑(5-Substituted-pyrimidin-2-yl)anilines: Relayed Electronic Effect in Two N–Ar Bond Rotations

Journal of organic chemistry, 2022-06, Vol.87 (12), p.8118-8125

2022

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Probing the structures, binding energies, and spin-spin coupling constants of halogen-bonded Azine:ClF complexes

Chemical physics letters, 2020-12, Vol.761, p.137916, Article 137916

2020

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A theoretical study of dynamic processes observed in trimethylsilyl-1H-pyrazoles: prototropy and silylotropy

Theoretical chemistry accounts, 2022-12, Vol.141 (12), Article 78

2022

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Cation-cation and anion-anion complexes stabilized by halogen bonds

Physical chemistry chemical physics : PCCP, 2016-10, Vol.18 (40), p.27939-27950

2016

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Metastable Dianions and Dications

Chemphyschem, 2020-07, Vol.21 (14), p.1597-1607

2020

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Substituent Effects on the Properties of Pnicogen-Bonded Complexes H2XP:PYH2, for X, Y = F, Cl, OH, NC, CCH, CH3, CN, and H

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2015-01, Vol.119 (1), p.224-233

2015

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Pnicogen-Bonded Anionic Complexes

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2014-05, Vol.118 (18), p.3386-3392

2014

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Not Only Hydrogen Bonds: Other Noncovalent Interactions

On the Reliability of Pure and Hybrid DFT Methods for the Evaluation of Halogen, Chalcogen, and Pnicogen Bonds Involving Anionic and Neutral Electron Donors

Polymorphism and Desmotropy in Heterocyclic Crystal Structures

Pnicogen Bonded Complexes of PO2X (X = F, Cl) with Nitrogen Bases

An ab Initio Study of High‐Energetic Trioxatriazinane Derivatives: Conformational Analysis, Nitrogen Inversion, Heats of Formation, Dissociation Reaction, and Dimerization

The reciprocal SN2 and SE2 reactions of ammonia borane

A DFT study of the tautomerism of 1H-benzo[de]cinnolines and their protonated forms

Cooperativity in Tetrel Bonds

The dubious origin of beryllium toxicity

Spodium Bonds: Noncovalent Interactions Involving Group 12 Elements

A Conceptual DFT Study of Phosphonate Dimers: Dianions Supported by H‑Bonds

Carbon–Carbon Bonding between Nitrogen Heterocyclic Carbenes and CO2

Borotropy: The Mechanism of Boron Transfer Between Adjacent N‐Atoms of Pyrazol‐1‐yl Rings

A LFER analysis of the singlet-triplet gap in a series of sixty-six carbenes

Structures, Energies, Bonding, and NMR Properties of Pnicogen Complexes H2XP:NXH2 (X  H, CH3, NH2, OH, F, Cl)

X‑ray Molecular Structures of 23 N1-4-Nitrophenyl, 2,4-Dinitrophenyl, and 2,4,6-Trinitrophenyl-2-pyrazolines

Sequestration of Carbon Dioxide with Frustrated Lewis Pairs Based on N‑Heterocycles with Silane/Germane Groups

A theoretical study of the valence tautomerism of 1H-pyrazolium-4-olates (X = O) and related compounds (X = S, Se, NH): relative stabilities, protonation effects, and tautomerization barriers

Rotational Behavior of N‑(5-Substituted-pyrimidin-2-yl)anilines: Relayed Electronic Effect in Two N–Ar Bond Rotations

Probing the structures, binding energies, and spin-spin coupling constants of halogen-bonded Azine:ClF complexes

A theoretical study of dynamic processes observed in trimethylsilyl-1H-pyrazoles: prototropy and silylotropy

Cation-cation and anion-anion complexes stabilized by halogen bonds

Metastable Dianions and Dications

Substituent Effects on the Properties of Pnicogen-Bonded Complexes H2XP:PYH2, for X, Y = F, Cl, OH, NC, CCH, CH3, CN, and H

Pnicogen-Bonded Anionic Complexes

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