Detalhe da pesquisa
1.
Electronic Current Density Induced by Uniform Magnetic Fields in Clarenes.
Chemistry
; : e202401167, 2024 Apr 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-38656896
2.
Chirality Sensing of Cryptochiral Guests with Prism[n]arenes.
Chemistry
; : e202401625, 2024 May 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-38717117
3.
Standard Response Calculation of Electric Dipole Polarizability and Specific Optical Rotation Power Densities.
Chemphyschem
; : e202400203, 2024 May 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-38747090
4.
On the Unusual Global Aromaticity of Two Cyclopenta-ring-fused Oligo(m-phenylenes).
Chemphyschem
; : e202400342, 2024 May 29.
Artigo
em Inglês
| MEDLINE | ID: mdl-38807571
5.
Methylene-Bridged [6]-, [8]-, and [10]Cycloparaphenylenes: Size-Dependent Properties and Paratropic Belt Currents.
J Am Chem Soc
; 145(16): 8939-8946, 2023 Apr 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-37042937
6.
Electronic current densities and origin-independent property densities induced by optical fields.
Phys Chem Chem Phys
; 25(37): 25082-25093, 2023 Sep 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-37702204
7.
Size-Reduced Basis Set Calculation of Accurate Isotropic Nuclear Magnetic Shieldings Using CTOCD-GRRO and GPRO Methods in Amino Acids and Oligopeptides.
J Phys Chem A
; 127(13): 3036-3047, 2023 Apr 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-36951918
8.
Correction: Monaco et al. Chiral Phase Transfer Catalysis in the Asymmetric Synthesis of a 3,3-Disubstituted Isoindolinone and Determination of Its Absolute Configuration by VCD Spectroscopy. Molecules 2020, 25, 2272.
Molecules
; 28(11)2023 May 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-37299043
9.
On the JAP Method for the Indirect Determination of Delocalized Currents from Experimental Chemical Shifts.
Chemphyschem
; 23(20): e202200411, 2022 10 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-35811448
10.
Magnetic Characterization of the Infinitene Molecule.
J Phys Chem A
; 126(23): 3717-3723, 2022 Jun 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-35666105
11.
Origin independent current density vector fields induced by time-dependent magnetic field. I. The LiH molecule.
J Chem Phys
; 156(15): 154105, 2022 Apr 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-35459313
12.
Dynamic toroidizability as ubiquitous property of atoms and molecules in optical electric fields.
J Chem Phys
; 156(5): 054106, 2022 Feb 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-35135291
13.
Synthesis and Stereochemical Characterization of a Novel Chiral α-Tetrazole Binaphthylazepine Organocatalyst.
Molecules
; 27(16)2022 Aug 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-36014353
14.
Base-Promoted Cascade Reactions for the Synthesis of 3,3-Dialkylated Isoindolin-1-ones and 3-Methyleneisoindolin-1-ones.
J Org Chem
; 86(21): 15128-15138, 2021 11 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-34613731
15.
Program Package for the Calculation of Origin-Independent Electron Current Density and Derived Magnetic Properties in Molecular Systems.
J Chem Inf Model
; 61(1): 270-283, 2021 01 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-33347314
16.
Assessment of the performance of DFT functionals in the fulfillment of off-diagonal hypervirial relationships.
Phys Chem Chem Phys
; 23(28): 15268-15274, 2021 Jul 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-34240095
17.
Electronic Currents Induced by Optical Fields and Rotatory Power Density in Chiral Molecules.
Molecules
; 26(14)2021 Jul 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-34299470
18.
NICS-XY-Scan Predictions of Local, Semi-Global, and Global Ring Currents in Annulated Pentalene and s-Indacene Cores Compared to First-Principles Current Density Maps.
Chemphyschem
; 21(1): 65-82, 2020 01 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-31652016
19.
Design of annulene-within-an-annulene systems by the altanisation approach. A study of altan-[n]annulenes.
Phys Chem Chem Phys
; 22(10): 5476-5486, 2020 Mar 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-32101194
20.
The molecular electronic structure revealed by the magnetically induced Lorentz force density.
J Chem Phys
; 153(10): 104114, 2020 Sep 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-32933303