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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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Seventy-three years riding heterocycles

Structural chemistry, 2024, Vol.35 (4), p.1051-1057

Elguero, José

2024

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Theoretical structure determination of a class of heterocyclic compounds: The pyrazolidines

Chemical physics letters, 2024-06, Vol.845, p.141293, Article 141293

2024

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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 dubious origin of beryllium toxicity

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

2023

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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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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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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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Spodium Bonds: Noncovalent Interactions Involving Group 12 Elements

Angewandte Chemie International Edition, 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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A Computational Study of Metallacycles Formed by Pyrazolate Ligands and the Coinage Metals M = Cu(I), Ag(I) and Au(I): (pzM) n for n = 2, 3, 4, 5 and 6. Comparison with Structures Reported in the Cambridge Crystallographic Data Center (CCDC)

Molecules (Basel, Switzerland), 2020-11, Vol.25 (21), p.5108

2020

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Carbenes as Electron-Pair Donors To CO2 for C···C Tetrel Bonds and C–C Covalent Bonds

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2017-05, Vol.121 (20), p.4039-4047

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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Pnicogen-Bonded Cyclic Trimers (PH2X)3 with X = F, Cl, OH, NC, CN, CH3, H, and BH2

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-06, Vol.117 (23), p.4981-4987

2013

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Azines as Electron-Pair Donors to CO2 for N···C Tetrel Bonds

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2017-10, Vol.121 (41), p.8017-8025

2017

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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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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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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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Open Bis(triazolium) Structural Motifs as a Benchmark To Study Combined Hydrogen- and Halogen-Bonding Interactions in Oxoanion Recognition Processes

Journal of organic chemistry, 2014-08, Vol.79 (15), p.6959-6969

2014

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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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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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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

Seventy-three years riding heterocycles

Theoretical structure determination of a class of heterocyclic compounds: The pyrazolidines

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 dubious origin of beryllium toxicity

The reciprocal SN2 and SE2 reactions of ammonia borane

Cooperativity in Tetrel Bonds

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

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

A Computational Study of Metallacycles Formed by Pyrazolate Ligands and the Coinage Metals M = Cu(I), Ag(I) and Au(I): (pzM) n for n = 2, 3, 4, 5 and 6. Comparison with Structures Reported in the Cambridge Crystallographic Data Center (CCDC)

Carbenes as Electron-Pair Donors To CO2 for C···C Tetrel Bonds and C–C Covalent Bonds

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

Pnicogen-Bonded Cyclic Trimers (PH2X)3 with X = F, Cl, OH, NC, CN, CH3, H, and BH2

Azines as Electron-Pair Donors to CO2 for N···C Tetrel Bonds

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

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

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

Open Bis(triazolium) Structural Motifs as a Benchmark To Study Combined Hydrogen- and Halogen-Bonding Interactions in Oxoanion Recognition Processes

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

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

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