297 related articles for article (PubMed ID: 27809358)
1. Understanding the Role of Dispersion in Frustrated Lewis Pairs and Classical Lewis Adducts: A Domain-Based Local Pair Natural Orbital Coupled Cluster Study.
Bistoni G; Auer AA; Neese F
Chemistry; 2017 Jan; 23(4):865-873. PubMed ID: 27809358
[TBL] [Abstract][Full Text] [Related]
2. Conceptual quantum chemical analysis of bonding and noncovalent interactions in the formation of frustrated Lewis pairs.
Skara G; Pinter B; Top J; Geerlings P; De Proft F; De Vleeschouwer F
Chemistry; 2015 Mar; 21(14):5510-9. PubMed ID: 25694108
[TBL] [Abstract][Full Text] [Related]
3. Effect of Electron Correlation on Intermolecular Interactions: A Pair Natural Orbitals Coupled Cluster Based Local Energy Decomposition Study.
Altun A; Neese F; Bistoni G
J Chem Theory Comput; 2019 Jan; 15(1):215-228. PubMed ID: 30495957
[TBL] [Abstract][Full Text] [Related]
4. Energy Decomposition Analysis of Lewis Acid/Base Adducts and Frustrated Lewis Pairs: The Use of
Ison EA; Tubb JL
Inorg Chem; 2021 Sep; 60(18):13797-13805. PubMed ID: 34329555
[TBL] [Abstract][Full Text] [Related]
5. Reactivity-Tuning in Frustrated Lewis Pairs: Nucleophilicity and Lewis Basicity of Sterically Hindered Phosphines.
Follet E; Mayer P; Stephenson DS; Ofial AR; Berionni G
Chemistry; 2017 Jun; 23(31):7422-7427. PubMed ID: 28370848
[TBL] [Abstract][Full Text] [Related]
6. HFLD: A Nonempirical London Dispersion-Corrected Hartree-Fock Method for the Quantification and Analysis of Noncovalent Interaction Energies of Large Molecular Systems †.
Altun A; Neese F; Bistoni G
J Chem Theory Comput; 2019 Nov; 15(11):5894-5907. PubMed ID: 31538779
[TBL] [Abstract][Full Text] [Related]
7. Local Energy Decomposition Analysis of London Dispersion Effects: From Simple Model Dimers to Complex Biomolecular Assemblies.
Bistoni G; Altun A; Wang Z; Neese F
Acc Chem Res; 2024 May; 57(9):1411-1420. PubMed ID: 38602396
[TBL] [Abstract][Full Text] [Related]
8. Is It Possible To Obtain Coupled Cluster Quality Energies at near Density Functional Theory Cost? Domain-Based Local Pair Natural Orbital Coupled Cluster vs Modern Density Functional Theory.
Liakos DG; Neese F
J Chem Theory Comput; 2015 Sep; 11(9):4054-63. PubMed ID: 26575901
[TBL] [Abstract][Full Text] [Related]
9. Infrared Spectroscopy Evidence of Weak Interactions in Frustrated Lewis Pairs Formed by Tris(pentafluorophenyl)borane.
Marques LR; Ando RA
Chemphyschem; 2023 Mar; 24(6):e202200715. PubMed ID: 36450662
[TBL] [Abstract][Full Text] [Related]
10. Local energy decomposition analysis of hydrogen-bonded dimers within a domain-based pair natural orbital coupled cluster study.
Altun A; Neese F; Bistoni G
Beilstein J Org Chem; 2018; 14():919-929. PubMed ID: 29765473
[TBL] [Abstract][Full Text] [Related]
11. Physical Nature of Differential Spin-State Stabilization of Carbenes by Hydrogen and Halogen Bonding: A Domain-Based Pair Natural Orbital Coupled Cluster Study.
Ghafarian Shirazi R; Neese F; Pantazis DA; Bistoni G
J Phys Chem A; 2019 Jun; 123(24):5081-5090. PubMed ID: 30938995
[TBL] [Abstract][Full Text] [Related]
12. A DFT study of hydrogen and methane activation by B(C
Villegas-Escobar N; Toro-Labbé A; Becerra M; Real-Enriquez M; Mora JR; Rincon L
J Mol Model; 2017 Aug; 23(8):234. PubMed ID: 28733881
[TBL] [Abstract][Full Text] [Related]
13. On the mechanism of hydrogen activation by frustrated Lewis pairs.
Zeonjuk LL; Vankova N; Mavrandonakis A; Heine T; Röschenthaler GV; Eicher J
Chemistry; 2013 Dec; 19(51):17413-24. PubMed ID: 24318267
[TBL] [Abstract][Full Text] [Related]
14. Solid-state NMR as a spectroscopic tool for characterizing phosphane-borane frustrated lewis pairs.
Wiegand T; Eckert H; Grimme S
Top Curr Chem; 2013; 332():291-345. PubMed ID: 23138688
[TBL] [Abstract][Full Text] [Related]
15. Exploring the electronic and steric effects on the dimerization of intramolecular frustrated Lewis pairs: a comparison between aminoboranes and aminoalanes.
Barrales-Martínez C; Illanes-Solis C; Durán R; Caballero J
Dalton Trans; 2024 Apr; 53(16):7000-7011. PubMed ID: 38563207
[TBL] [Abstract][Full Text] [Related]
16. Solid-state NMR studies for the determination of 11B electric field-gradient tensor orientations in P/B Frustrated Lewis Pairs and related systems.
Wiegand T; Siedow M; Ekkert O; Möbus J; Daniliuc CG; Kehr G; Erker G; Eckert H
Solid State Nucl Magn Reson; 2014; 61-62():8-14. PubMed ID: 24721380
[TBL] [Abstract][Full Text] [Related]
17. Decomposition of Intermolecular Interaction Energies within the Local Pair Natural Orbital Coupled Cluster Framework.
Schneider WB; Bistoni G; Sparta M; Saitow M; Riplinger C; Auer AA; Neese F
J Chem Theory Comput; 2016 Oct; 12(10):4778-4792. PubMed ID: 27564403
[TBL] [Abstract][Full Text] [Related]
18. Understanding the reactivity of geminal P/B and P/Al frustrated Lewis pairs in CO
Ramadhan MD; Surawatanawong P
Dalton Trans; 2021 Aug; 50(32):11307-11316. PubMed ID: 34342322
[TBL] [Abstract][Full Text] [Related]
19. London dispersion effects in the coordination and activation of alkanes in σ-complexes: a local energy decomposition study.
Lu Q; Neese F; Bistoni G
Phys Chem Chem Phys; 2019 Jun; 21(22):11569-11577. PubMed ID: 30957805
[TBL] [Abstract][Full Text] [Related]
20. Interaction between Spirosilanes and Lewis Bases: from Coordination to Frustration.
Medici F; Maury J; Lemière G; Fensterbank L
Chemistry; 2019 Jul; 25(40):9438-9442. PubMed ID: 30990919
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]