Detalhe da pesquisa
1.
Discovering trends in the Lewis acidity of beryllium and magnesium hydrides and fluorides with increasing clusters size.
J Comput Chem
; 45(20): 1702-1715, 2024 Jul 30.
Artigo
em Inglês
| MEDLINE | ID: mdl-38567760
2.
Striking Borane Planarization in the Thermal Rearrangement (η5-C5H5)Fe(η3-B5H10) â (η5-C5H5)Fe(η5-B5H10) §.
Chemistry
; : e202401536, 2024 May 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-38712946
3.
An ab Initio Study of High-Energetic Trioxatriazinane Derivatives: Conformational Analysis, Nitrogen Inversion, Heats of Formation, Dissociation Reaction, and Dimerization.
Chemphyschem
; 25(7): e202400040, 2024 Apr 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-38270533
4.
Towards 2D Borane Chemistry in Hexagonal Cyclic Compounds.
Chemphyschem
; 25(7): e202300809, 2024 Apr 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-38277470
5.
(Pyridin-2-ylmethyl)triel Derivatives as Masked Frustrated Lewis Pairs. Interactions and CO2 -Sequestration.
Chemphyschem
; 25(6): e202300750, 2024 Mar 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-38215389
6.
A multi-FLP approach for CO2 capture: investigating nitrogen, boron, phosphorus and aluminium doped nanographenes and the influence of a sodium cation.
Phys Chem Chem Phys
; 26(16): 12433-12443, 2024 Apr 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-38596872
7.
Capture of CO2 by Melamine Derivatives: A DFT Study Combining the Relative Energy Gradient Method with an Interaction Energy Partitioning Scheme.
J Phys Chem A
; 128(7): 1288-1296, 2024 Feb 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-38351470
8.
Production of Dihydrogen Using Ammonia Borane as Reagent and Pyrazole as Catalyst.
Chemphyschem
; 24(17): e202300214, 2023 Sep 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-37350535
9.
Metastable Charged Dimers in Organometallic Species: A Look into Hydrogen Bonding between Metallocene Derivatives.
Inorg Chem
; 62(40): 16523-16537, 2023 Oct 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-37755334
10.
A theoretical study of the reaction of borata derivatives of benzene, anthracene and pentacene with CO2.
Phys Chem Chem Phys
; 25(33): 22512-22522, 2023 Aug 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-37581605
11.
Reply to the 'Comment on "Theoretical study of the NO3 radical reaction with CH2ClBr, CH2ICl, CH2BrI, CHCl2Br, and CHClBr2"' by C. J. Nielsen and Y. Tang, Phys. Chem. Chem. Phys., 2022, 24, DOI: 10.1039/D2CP03013F.
Phys Chem Chem Phys
; 25(5): 4357-4358, 2023 Feb 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-36656745
12.
Dispersion, Rehybridization, and Pentacoordination: Keys to Understand Clustering of Boron and Aluminum Hydrides and Halides.
J Phys Chem A
; 127(28): 5860-5871, 2023 Jul 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-37418427
13.
A Holistic View of the Interactions between Electron-Deficient Systems: Clustering of Beryllium and Magnesium Hydrides and Halides.
Molecules
; 28(22)2023 Nov 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-38005228
14.
Use of 5,10-Disubstituted Dibenzoazaborines and Dibenzophosphaborines as Cyclic Supports of Frustrated Lewis Pairs for the Capture of CO2.
Chemphyschem
; 23(18): e202200204, 2022 09 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-35703469
15.
Stand up for Electrostatics: The Disiloxane Case.
Chemphyschem
; 23(9): e202200088, 2022 05 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-35235247
16.
Rotational Behavior of N-(5-Substituted-pyrimidin-2-yl)anilines: Relayed Electronic Effect in Two N-Ar Bond Rotations.
J Org Chem
; 87(12): 8118-8125, 2022 Jun 17.
Artigo
em Inglês
| MEDLINE | ID: mdl-35657258
17.
Study of the Addition Mechanism of 1H-Indazole and Its 4-, 5-, 6-, and 7-Nitro Derivatives to Formaldehyde in Aqueous Hydrochloric Acid Solutions.
J Org Chem
; 87(9): 5866-5881, 2022 May 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-35405072
18.
Theoretical study of the NO3 radical reaction with CH2ClBr, CH2ICl, CH2BrI, CHCl2Br, and CHClBr2.
Phys Chem Chem Phys
; 24(23): 14365-14374, 2022 Jun 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-35642918
19.
Disrupting bonding in azoles through beryllium bonds: Unexpected coordination patterns and acidity enhancement.
J Chem Phys
; 156(19): 194303, 2022 May 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-35597641
20.
The use of DOSY experiments to determine the solution structures of coinage metal pyrazolates: The case of {[3,5-(CF3 )2 Pz]Ag}3.
Magn Reson Chem
; 60(4): 442-451, 2022 Apr.
Artigo
em Inglês
| MEDLINE | ID: mdl-34935188