UB Paderborn / Katalog / Suche / in CDI

Sortiert nach

Einfacher Volltextzugriff von (fast) überall

Installieren Sie die LibKey Nomad-Browsererweiterung und erhalten Sie von vielen Webseiten einfachen Zugriff auf lizenzierte Volltexte oder Open Access Publikationen. Mehr erfahren...

Not Only Hydrogen Bonds: Other Noncovalent Interactions

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

2020

Volltextzugriff (PDF)

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

Volltextzugriff (PDF)

Seventy-three years riding heterocycles

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

Elguero, José

2024

Volltextzugriff (PDF)

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

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

2024

Volltextzugriff (PDF)

Polymorphism and Desmotropy in Heterocyclic Crystal Structures

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

Elguero, José

2011

Volltextzugriff (PDF)

The dubious origin of beryllium toxicity

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

2023

Volltextzugriff (PDF)

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

Volltextzugriff (PDF)

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

Volltextzugriff (PDF)

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

Volltextzugriff (PDF)

The reciprocal SN2 and SE2 reactions of ammonia borane

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

2022

Volltextzugriff (PDF)

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

Volltextzugriff (PDF)

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

Volltextzugriff (PDF)

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

Volltextzugriff (PDF)

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

Volltextzugriff (PDF)

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

Volltextzugriff (PDF)

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

Volltextzugriff (PDF)

An NMR experimental and theoretical study of pyrazagalloles, the gallium analogues of pyrazaboles

Canadian journal of chemistry, 2024-05, Vol.102 (5), p.343-354

2024

Volltextzugriff (PDF)

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

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

2023

Volltextzugriff (PDF)

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

Volltextzugriff (PDF)

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

Volltextzugriff (PDF)

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

Volltextzugriff (PDF)

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

Volltextzugriff (PDF)

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

Volltextzugriff (PDF)

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

Volltextzugriff (PDF)

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

Volltextzugriff (PDF)

1 – 25 von 1.894

Menü

Weitere Dienste

Einstellungen

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

The dubious origin of beryllium toxicity

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

Spodium Bonds: Noncovalent Interactions Involving Group 12 Elements

The reciprocal SN2 and SE2 reactions of ammonia borane

Cooperativity in Tetrel Bonds

Carbon–Carbon Bonding between Nitrogen Heterocyclic Carbenes and CO2

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

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)

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

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

An NMR experimental and theoretical study of pyrazagalloles, the gallium analogues of pyrazaboles

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

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

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

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

Aktive Filter

Suchergebnisse filtern