Detalhe da pesquisa
1.
DszA Catalyzes C-S Bond Cleavage through N5-Hydroperoxyl Formation.
J Chem Inf Model
; 64(10): 4218-4230, 2024 May 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-38684937
2.
Cyclopentene ring effects in cyanine dyes: a handle to fine-tune photophysical properties.
Phys Chem Chem Phys
; 26(7): 6235-6241, 2024 Feb 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-38305348
3.
Spark Discharge Doping-Achieving Unprecedented Control over Aggregate Fraction and Backbone Ordering in Poly(3-hexylthiophene) Solutions.
Small
; 19(21): e2207537, 2023 May.
Artigo
em Inglês
| MEDLINE | ID: mdl-36861324
4.
The Challenging World of Simple Inorganic Rings: Revisiting Roesky's Ketone and Roesky's Sulfoxide.
Chemistry
; 29(67): e202302449, 2023 Dec 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-37650487
5.
Revisiting sp2 Dilithio Methandiides: From Geometric Curiosity to Simple Bonding Description.
Chemistry
; 29(56): e202301911, 2023 Oct 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-37427720
6.
A Predictive Model for the Pd-Catalyzed Site-Selective Oxidation of Diols.
Chemistry
; 29(44): e202300318, 2023 Aug 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-37225663
7.
The Halogen Bond in Weakly Bonded Complexes and the Consequences for Aromaticity and Spin-Orbit Coupling.
Molecules
; 28(2)2023 Jan 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-36677828
8.
Spectroscopic Manifestations and Implications for Catalysis of Quasi-d10 Configurations in Formal Gold(III) Complexes.
Angew Chem Int Ed Engl
; 62(3): e202215523, 2023 Jan 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-36508713
9.
Homolytic X-H Bond Cleavage at a Gold(III) Hydroxide: Insights into One-Electron Events at Gold.
Chemistry
; 28(40): e202200599, 2022 Jul 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-35506505
10.
Gold-Aluminyl and Gold-Diarylboryl Complexes: Bonding and Reactivity with Carbon Dioxide.
Inorg Chem
; 61(19): 7327-7337, 2022 May 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-35512414
11.
[Fe4S4] cubane in sulfite reductases: new insights into bonding properties and reactivity.
Phys Chem Chem Phys
; 24(31): 18543-18551, 2022 Aug 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-35904932
12.
Revisiting Formal Copper(III) Complexes: Bridging Perspectives with Quasi-d 10 Configurations.
Eur J Inorg Chem
; 2022(27): e202200247, 2022 Sep 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-36619312
13.
Electronic couplings for singlet fission: Orbital choice and extrapolation to the complete basis set limit.
J Comput Chem
; 42(5): 326-333, 2021 Feb 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-33616968
14.
Efficient Computation of Geometries for Gold Complexes.
Chemphyschem
; 22(12): 1262-1268, 2021 06 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-33729673
15.
The electronic structure of carbones revealed: insights from valence bond theory.
Phys Chem Chem Phys
; 23(5): 3327-3334, 2021 Feb 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-33501481
16.
Periodoannulenes: A Generalized Annulene-within-an-Annulene Paradigm for Combined σ and π Ring Currents.
J Phys Chem A
; 125(29): 6374-6383, 2021 Jul 29.
Artigo
em Inglês
| MEDLINE | ID: mdl-34279938
17.
Comparing GIPAW with numerically exact chemical shieldings: The role of two-center contributions to the induced current.
J Chem Phys
; 155(23): 234101, 2021 Dec 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-34937373
18.
Total Synthesis of the Alleged Structure of Crenarchaeol Enables Structure Revision*.
Angew Chem Int Ed Engl
; 60(32): 17504-17513, 2021 08 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-34114718
19.
Electronic Control of Spin-Crossover Properties in Four-Coordinate Bis(formazanate) Iron(II) Complexes.
J Am Chem Soc
; 142(47): 20170-20181, 2020 Nov 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-33197175
20.
Engineering Long-Range Order in Supramolecular Assemblies on Surfaces: The Paramount Role of Internal Double Bonds in Discrete Long-Chain Naphthalenediimides.
J Am Chem Soc
; 142(8): 4070-4078, 2020 Feb 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-31971383