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1.
Anti-Markovnikov Intermolecular Hydroamination of Alkenes and Alkynes: A Mechanistic View.
Chem Rev
; 123(15): 9139-9203, 2023 Aug 09.
Article
in English
| MEDLINE | ID: mdl-37406078
2.
Rationalization of a Streptavidin Based Enantioselective Artificial Suzukiase: An Integrative Computational Approach.
Chemistry
; : e202401165, 2024 May 16.
Article
in English
| MEDLINE | ID: mdl-38752552
3.
Carboranylphosphines: B9-Substituted Derivatives with Enhanced Reactivity for the Anchoring to Dendrimers.
Chemistry
; 30(13): e202303867, 2024 Mar 01.
Article
in English
| MEDLINE | ID: mdl-38214467
4.
Carboranylphosphines: B9-Substituted Derivatives with Enhanced Reactivity for Anchoring to Dendrimers.
Chemistry
; 30(13): e202400456, 2024 Mar 01.
Article
in English
| MEDLINE | ID: mdl-38372387
5.
Dithienylethene-Based Photoswitchable Phosphines for the Palladium-Catalyzed Stille Coupling Reaction.
Inorg Chem
; 63(17): 7652-7664, 2024 Apr 29.
Article
in English
| MEDLINE | ID: mdl-38624066
6.
Cyclometallated Imides as Templates for the H-Bond Directed Iridium-Catalyzed Asymmetric Hydrogenation of N-Methyl, N-Alkyl and N-Aryl Imines.
Angew Chem Int Ed Engl
; : e202404955, 2024 Apr 19.
Article
in English
| MEDLINE | ID: mdl-38639173
7.
Successes and challenges in multiscale modelling of artificial metalloenzymes: the case study of POP-Rh2 cyclopropanase.
Faraday Discuss
; 234(0): 349-366, 2022 05 18.
Article
in English
| MEDLINE | ID: mdl-35147145
8.
Getting Deeper into the Molecular Events of Heme Binding Mechanisms: A Comparative Multi-level Computational Study of HasAsm and HasAyp Hemophores.
Inorg Chem
; 61(43): 17068-17079, 2022 Oct 31.
Article
in English
| MEDLINE | ID: mdl-36250592
9.
Molecular Modeling for Artificial Metalloenzyme Design and Optimization.
Acc Chem Res
; 53(4): 896-905, 2020 04 21.
Article
in English
| MEDLINE | ID: mdl-32233391
10.
Computational Analysis on the Pd-Catalyzed C-N Coupling of Ammonia with Aryl Bromides Using a Chelate Phosphine Ligand.
J Org Chem
; 86(5): 4007-4017, 2021 03 05.
Article
in English
| MEDLINE | ID: mdl-33592146
11.
Transmetalation Reactions Triggered by Electron Transfer between Organocopper Complexes.
Inorg Chem
; 60(15): 11633-11639, 2021 Aug 02.
Article
in English
| MEDLINE | ID: mdl-34259512
12.
Dynamic PdII /CuI Multimetallic Assemblies as Molecular Models to Study Metal-Metal Cooperation in Sonogashira Coupling.
Chemistry
; 26(53): 12168-12179, 2020 Sep 21.
Article
in English
| MEDLINE | ID: mdl-32427376
13.
Catalytic Regioselective Isomerization of 2,2-Disubstituted Oxetanes to Homoallylic Alcohols.
Angew Chem Int Ed Engl
; 59(19): 7521-7527, 2020 May 04.
Article
in English
| MEDLINE | ID: mdl-31981390
14.
GARLEEK: Adding an extra flavor to ONIOM.
J Comput Chem
; 40(2): 381-386, 2019 01 15.
Article
in English
| MEDLINE | ID: mdl-30462350
15.
σ-Silane Platinum(II) Complexes as Intermediates in C-Si Bond-Coupling Processes.
Chemistry
; 25(48): 11346-11355, 2019 Aug 27.
Article
in English
| MEDLINE | ID: mdl-31246316
16.
Inner-Sphere Oxygen Activation Promoting Outer-Sphere Nucleophilic Attack on Olefins.
Chemistry
; 25(64): 14546-14554, 2019 Nov 18.
Article
in English
| MEDLINE | ID: mdl-31432579
17.
Activating a Peroxo Ligand for C-O Bond Formation.
Angew Chem Int Ed Engl
; 58(10): 3037-3041, 2019 Mar 04.
Article
in English
| MEDLINE | ID: mdl-30589172
18.
Direct Asymmetric Hydrogenation of N-Methyl and N-Alkyl Imines with an Ir(III)H Catalyst.
J Am Chem Soc
; 140(49): 16967-16970, 2018 Dec 12.
Article
in English
| MEDLINE | ID: mdl-30475609
19.
Prediction of the interaction of metallic moieties with proteins: An update for protein-ligand docking techniques.
J Comput Chem
; 39(1): 42-51, 2018 01 05.
Article
in English
| MEDLINE | ID: mdl-29076256
20.
Selective Synthesis of Tetrasubstituted Olefins by Copper-Mediated Acetoxythiolation of Internal Alkynes: Scope and Mechanistic Studies.
Chemistry
; 24(50): 13124-13135, 2018 Sep 06.
Article
in English
| MEDLINE | ID: mdl-29992666