Detalhe da pesquisa
1.
A Case-Study on the Photophysics of Chalcogen-Substituted Zinc(II) Phthalocyanines.
Chemistry
; 30(26): e202304083, 2024 May 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-38647352
2.
R2022: A DFT/MRCI Ansatz with Improved Performance for Double Excitations.
J Phys Chem A
; 127(8): 2011-2025, 2023 Mar 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-36799533
3.
[Evidence on the effects of crisis resolution teams, home treatment and assertive outreach for people with mental disorders in Germany, Austria and Switzerland - a systematic review]. / Evidenz zu aufsuchender Behandlung bei Menschen mit psychischen Störungen in Deutschland, Österreich und der Schweiz eine systematische Übersichtsarbeit.
Nervenarzt
; 93(5): 488-498, 2022 May.
Artigo
em Alemão
| MEDLINE | ID: mdl-34114073
4.
Large Inverted Singlet-Triplet Energy Gaps Are Not Always Favorable for Triplet Harvesting: Vibronic Coupling Drives the (Reverse) Intersystem Crossing in Heptazine Derivatives.
J Phys Chem A
; 125(46): 10044-10051, 2021 Nov 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-34756038
5.
Internal conversion of singlet and triplet states employing numerical DFT/MRCI derivative couplings: Implementation, tests, and application to xanthone.
J Chem Phys
; 155(1): 014102, 2021 Jul 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-34241387
6.
Structure and Dynamics of Meprin ß in Complex with a Hydroxamate-Based Inhibitor.
Int J Mol Sci
; 22(11)2021 May 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-34073350
7.
Visible Light-Induced Homolytic Cleavage of Perfluoroalkyl Iodides Mediated by Phosphines.
Molecules
; 25(7)2020 Apr 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-32244568
8.
Impact of fluorination on the photophysics of the flavin chromophore: a quantum chemical perspective.
Phys Chem Chem Phys
; 21(19): 9912-9923, 2019 May 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-31038527
9.
The simulation of X-ray absorption spectra from ground and excited electronic states using core-valence separated DFT/MRCI.
J Chem Phys
; 151(14): 144104, 2019 Oct 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-31615239
10.
Structural and functional analyses of pyroglutamate-amyloid-ß-specific antibodies as a basis for Alzheimer immunotherapy.
J Biol Chem
; 292(30): 12713-12724, 2017 07 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-28623233
11.
On the performance of DFT/MRCI Hamiltonians for electronic excitations in transition metal complexes: The role of the damping function.
J Chem Phys
; 149(16): 164106, 2018 Oct 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-30384728
12.
Glutaminyl Cyclase Inhibitor PQ912 Improves Cognition in Mouse Models of Alzheimer's Disease-Studies on Relation to Effective Target Occupancy.
J Pharmacol Exp Ther
; 362(1): 119-130, 2017 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-28446518
13.
Phosphorescence or Thermally Activated Delayed Fluorescence? Intersystem Crossing and Radiative Rate Constants of a Three-Coordinate Copper(I) Complex Determined by Quantum-Chemical Methods.
Inorg Chem
; 55(15): 7508-16, 2016 Aug 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-27428010
14.
Redesign of the DFT/MRCI Hamiltonian.
J Chem Phys
; 144(3): 034104, 2016 Jan 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-26801017
15.
A non-canonical function of eukaryotic elongation factor 1A1: regulation of interleukin-6 expression.
Biochim Biophys Acta
; 1843(5): 965-75, 2014 May.
Artigo
em Inglês
| MEDLINE | ID: mdl-24487064
16.
Isoglutaminyl cyclase contributes to CCL2-driven neuroinflammation in Alzheimer's disease.
Acta Neuropathol
; 129(4): 565-83, 2015 Apr.
Artigo
em Inglês
| MEDLINE | ID: mdl-25666182
17.
Intersystem-crossing and phosphorescence rates in fac-Ir(III)(ppy)3: a theoretical study involving multi-reference configuration interaction wavefunctions.
J Chem Phys
; 142(9): 094301, 2015 Mar 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-25747075
18.
Pyroglutamate-3 amyloid-ß deposition in the brains of humans, non-human primates, canines, and Alzheimer disease-like transgenic mouse models.
Am J Pathol
; 183(2): 369-81, 2013 Aug.
Artigo
em Inglês
| MEDLINE | ID: mdl-23747948
19.
Erratum: "On the performance of DFT/MRCI Hamiltonians for electronic excitations in transition metal complexes: The role of the damping function" [J. Chem. Phys. 149, 164106 (2018)].
J Chem Phys
; 150(21): 219903, 2019 06 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-31176315
20.
[Coercive measures in psychiatric clinics-one among other indicators of treatment quality]. / Zwangsmaßnahmen in psychiatrischen Kliniken einer von vielen Indikatoren der Behandlungsqualität.
Nervenarzt
; 90(9): 954-955, 2019 Sep.
Artigo
em Alemão
| MEDLINE | ID: mdl-31399812