Detalles de la búsqueda
1.
Electronic Current Density Induced by Uniform Magnetic Fields in Clarenes.
Chemistry
; : e202401167, 2024 Apr 24.
Artículo
Inglés
| MEDLINE | ID: mdl-38656896
2.
Standard Response Calculation of Electric Dipole Polarizability and Specific Optical Rotation Power Densities.
Chemphyschem
; : e202400203, 2024 May 15.
Artículo
Inglés
| MEDLINE | ID: mdl-38747090
3.
On the Unusual Global Aromaticity of Two Cyclopenta-ring-fused Oligo(m-phenylenes).
Chemphyschem
; : e202400342, 2024 May 29.
Artículo
Inglés
| MEDLINE | ID: mdl-38807571
4.
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.
Artículo
Inglés
| MEDLINE | ID: mdl-37042937
5.
On the computation of frequency-dependent molecular magnetizabilities via dynamical charge and current electron densities.
J Comput Chem
; 44(16): 1517-1530, 2023 Jun 15.
Artículo
Inglés
| MEDLINE | ID: mdl-36995165
6.
Electronic current densities and origin-independent property densities induced by optical fields.
Phys Chem Chem Phys
; 25(37): 25082-25093, 2023 Sep 27.
Artículo
Inglés
| 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.
Artículo
Inglés
| MEDLINE | ID: mdl-36951918
8.
On the JAP Method for the Indirect Determination of Delocalized Currents from Experimental Chemical Shifts.
Chemphyschem
; 23(20): e202200411, 2022 10 19.
Artículo
Inglés
| MEDLINE | ID: mdl-35811448
9.
Magnetic Characterization of the Infinitene Molecule.
J Phys Chem A
; 126(23): 3717-3723, 2022 Jun 16.
Artículo
Inglés
| MEDLINE | ID: mdl-35666105
10.
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.
Artículo
Inglés
| MEDLINE | ID: mdl-35459313
11.
Dynamic toroidizability as ubiquitous property of atoms and molecules in optical electric fields.
J Chem Phys
; 156(5): 054106, 2022 Feb 07.
Artículo
Inglés
| MEDLINE | ID: mdl-35135291
12.
Synthesis and Stereochemical Characterization of a Novel Chiral α-Tetrazole Binaphthylazepine Organocatalyst.
Molecules
; 27(16)2022 Aug 11.
Artículo
Inglés
| MEDLINE | ID: mdl-36014353
13.
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.
Artículo
Inglés
| MEDLINE | ID: mdl-33347314
14.
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.
Artículo
Inglés
| MEDLINE | ID: mdl-34240095
15.
Electronic Currents Induced by Optical Fields and Rotatory Power Density in Chiral Molecules.
Molecules
; 26(14)2021 Jul 10.
Artículo
Inglés
| MEDLINE | ID: mdl-34299470
16.
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.
Artículo
Inglés
| MEDLINE | ID: mdl-31652016
17.
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.
Artículo
Inglés
| MEDLINE | ID: mdl-32101194
18.
The molecular electronic structure revealed by the magnetically induced Lorentz force density.
J Chem Phys
; 153(10): 104114, 2020 Sep 14.
Artículo
Inglés
| MEDLINE | ID: mdl-32933303
19.
Delocalization energy retrieved from the current density tensor.
Phys Chem Chem Phys
; 21(22): 11564-11568, 2019 Jun 05.
Artículo
Inglés
| MEDLINE | ID: mdl-31125039
20.
Magnetically Induced Current Density Spatial Domains.
J Phys Chem A
; 123(8): 1558-1569, 2019 Feb 28.
Artículo
Inglés
| MEDLINE | ID: mdl-30707030