Detalhe da pesquisa
1.
Dispersion Control over Molecule Cohesion: Exploiting and Dissecting the Tipping Power of Aromatic Rings.
Acc Chem Res
; 57(8): 1077-1086, 2024 Apr 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-38537179
2.
Benchmarking the anisotropy of nitroxyl radical solvation with IR spectroscopy.
Phys Chem Chem Phys
; 26(7): 5822-5829, 2024 Feb 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-38314587
3.
Weak hydrogen bonding to halogens and chirality communication in propanols: Raman and microwave spectroscopy benchmark theory.
Phys Chem Chem Phys
; 26(12): 9432-9452, 2024 Mar 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-38446207
4.
Homochiral vs. heterochiral preference in chiral self-recognition of cyclic diols.
Phys Chem Chem Phys
; 26(14): 10610-10621, 2024 Apr 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-38506638
5.
Hydrogen sharing between two nitroxyl radicals in the gas phase and other microsolvation effects on the infrared spectrum of a bulky hydroxylamine.
Phys Chem Chem Phys
; 25(16): 11324-11330, 2023 Apr 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-37040157
6.
Formic acid-methanol complexation vs. esterification: elusive pre-reactive species identified by vibrational spectroscopy.
Phys Chem Chem Phys
; 25(43): 29982-29992, 2023 Nov 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-37904580
7.
Subtle hydrogen bond preference and dual Franck-Condon activity - the interesting pairing of 2-naphthol with anisole.
Phys Chem Chem Phys
; 25(15): 10427-10439, 2023 Apr 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-37000584
8.
The first HyDRA challenge for computational vibrational spectroscopy.
Phys Chem Chem Phys
; 25(33): 22089-22102, 2023 Aug 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-37610422
9.
Raising the benchmark potential of a simple alcohol-ketone intermolecular balance.
Phys Chem Chem Phys
; 25(1): 384-391, 2022 Dec 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-36477454
10.
Coupled proton vibrations between two weak acids: the hinge complex between formic acid and trifluoroethanol.
Phys Chem Chem Phys
; 24(43): 26449-26457, 2022 Nov 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-36300486
11.
Setting up the HyDRA blind challenge for the microhydration of organic molecules.
Phys Chem Chem Phys
; 24(19): 11442-11454, 2022 May 18.
Artigo
em Inglês
| MEDLINE | ID: mdl-35522931
12.
Subtle hydrogen bonds: benchmarking with OH stretching fundamentals of vicinal diols in the gas phase.
Phys Chem Chem Phys
; 23(38): 21623-21640, 2021 Oct 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-34580694
13.
Predicting OH stretching fundamental wavenumbers of alcohols for conformational assignment: different correction patterns for density functional and wave-function-based methods.
Phys Chem Chem Phys
; 23(9): 5629-5643, 2021 Mar 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-33656038
14.
Rovibronic signatures of molecular aggregation in the gas phase: subtle homochirality trends in the dimer, trimer and tetramer of benzyl alcohol.
Phys Chem Chem Phys
; 23(41): 23610-23624, 2021 Oct 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-34661223
15.
Slow monomer vibrations in formic acid dimer: Stepping up the ladder with FTIR and Raman jet spectroscopy.
J Chem Phys
; 155(22): 224301, 2021 Dec 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-34911308
16.
Quantifying Conformational Isomerism in Chain Molecules by Linear Raman Spectroscopy: The Case of Methyl Esters.
Molecules
; 26(15)2021 Jul 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-34361676
17.
Halogens in Acetophenones Direct the Hydrogen Bond Docking Preference of Phenol via Stacking Interactions.
Molecules
; 26(16)2021 Aug 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-34443471
18.
Hydrogen Delocalization in an Asymmetric Biomolecule: The Curious Case of Alpha-Fenchol.
Molecules
; 27(1)2021 Dec 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-35011331
19.
The Hydrates of TEMPO: Water Vibrations Reveal Radical Microsolvation.
Angew Chem Int Ed Engl
; 60(35): 19013-19017, 2021 Aug 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-34165885
20.
Understanding benzyl alcohol aggregation by chiral modification: the pairing step.
Phys Chem Chem Phys
; 22(44): 25538-25551, 2020 Nov 18.
Artigo
em Inglês
| MEDLINE | ID: mdl-33169124