Detalhe da pesquisa
1.
Crosstalk between glucocorticoid and mineralocorticoid receptors boosts glucocorticoid-induced killing of multiple myeloma cells.
Cell Mol Life Sci
; 80(9): 249, 2023 Aug 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-37578563
2.
Uncovering Clar's aromatic π -sextet rule in the Hubbard model using Maximum Probability Domain Partitions.
J Comput Chem
; 43(7): 457-464, 2022 03 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-34997762
3.
Uncovering phase transitions that underpin the flat-planes in the tilted Hubbard model using subsystems and entanglement measures.
J Chem Phys
; 156(24): 244115, 2022 Jun 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-35778100
4.
Exploring machine learning methods for absolute configuration determination with vibrational circular dichroism.
Phys Chem Chem Phys
; 23(35): 19781-19789, 2021 Sep 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-34524304
5.
GQCP: The Ghent Quantum Chemistry Package.
J Chem Phys
; 155(8): 084802, 2021 Aug 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-34470369
6.
Quantifying the conceptual problems associated with the isotropic NICS through analyses of its underlying density.
Phys Chem Chem Phys
; 21(6): 3145-3153, 2019 Feb 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-30675885
7.
Interpreting the behavior of the NICSzz by resolving in orbitals, sign, and positions.
J Comput Chem
; 39(9): 511-519, 2018 Apr 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-29098697
8.
Can the current density map topology be extracted from the nucleus independent chemical shifts?
Phys Chem Chem Phys
; 18(17): 11746-55, 2016 04 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-26762574
9.
Extending Conceptual Density Functional Theory toward First-Order Reduced Density Matrices: An Open Subsystems Viewpoint on the Fukui Matrix.
J Chem Theory Comput
; 19(16): 5418-5426, 2023 Aug 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-37531218
10.
Influence of electron correlation and degeneracy on the Fukui matrix and extension of frontier molecular orbital theory to correlated quantum chemical methods.
Phys Chem Chem Phys
; 14(7): 2408-16, 2012 Feb 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-22249745
11.
Analyzing the Behavior of Spin Phases in External Magnetic Fields by Means of Spin-Constrained States.
J Chem Theory Comput
; 18(6): 3364-3376, 2022 Jun 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-35611406
12.
Quantifying Delocalization and Static Correlation Errors by Imposing (Spin)Population Redistributions through Constraints on Atomic Domains.
J Chem Theory Comput
; 17(11): 6808-6818, 2021 Nov 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-34597030
13.
The influence of correlation on (de)localization indices from a valence bond perspective.
J Mol Model
; 24(10): 275, 2018 Sep 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-30191324
14.
Performance of DFT Methods in Momentum Space: Quantum Similarity Measures versus Moments of Momentum.
J Chem Theory Comput
; 9(9): 3908-16, 2013 Sep 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-26592386