Detalhe da pesquisa
1.
Revealing the Critical Role of Global Electron Density Transfer in the Reaction Rate of Polar Organic Reactions within Molecular Electron Density Theory.
Molecules
; 29(8)2024 Apr 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-38675690
2.
A combined BET and IQA-REG study of the activation energy of non-polar zw-type [3+2] cycloaddition reactions.
Phys Chem Chem Phys
; 25(15): 10853-10865, 2023 Apr 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-37013716
3.
A Molecular Electron Density Theory Study of the Domino Reaction of N-Phenyl Iminoboranes with Benzaldehyde Yielding Fused Bicyclic Compounds.
Molecules
; 28(17)2023 Aug 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-37687040
4.
Synthesis and Characterization of New Spirooxindoles Including Triazole and Benzimidazole Pharmacophores via [3+2] Cycloaddition Reaction: An MEDT Study of the Mechanism and Selectivity.
Molecules
; 28(19)2023 Oct 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-37836817
5.
Unveiling the high reactivity of experimental pseudodiradical azomethine ylides within molecular electron density theory.
Phys Chem Chem Phys
; 25(1): 314-325, 2022 Dec 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-36477950
6.
A Molecular Electron Density Theory Study of the [3+2] Cycloaddition Reaction of an Azomethine Ylide with an Electrophilic Ethylene Linked to Triazole and Ferrocene Units.
Molecules
; 27(19)2022 Oct 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-36235069
7.
Understanding the Participation of Fluorinated Azomethine Ylides in Carbenoid-Type [3 + 2] Cycloaddition Reactions with Ynal Systems: A Molecular Electron Density Theory Study.
J Org Chem
; 86(18): 12644-12653, 2021 Sep 17.
Artigo
em Inglês
| MEDLINE | ID: mdl-34464534
8.
The catalytic effects of a thiazolium salt in the oxa-Diels-Alder reaction between benzaldehyde and Danishefsky's diene: a molecular electron density theory study.
Org Biomol Chem
; 19(42): 9306-9317, 2021 Nov 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-34651154
9.
Effects of Non-thermal Ultrasound on a Fibroblast Monolayer Culture: Influence of Pulse Number and Pulse Repetition Frequency.
Sensors (Basel)
; 21(15)2021 Jul 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-34372277
10.
A Comprehensive Experimental and Theoretical Study on the [{(η5-C5H5)2Zr[P(µ-PNEt2)2P(NEt2)2P]}]2O Crystalline System.
Molecules
; 26(23)2021 Nov 30.
Artigo
em Inglês
| MEDLINE | ID: mdl-34885860
11.
Unveiling the Ionic Diels-Alder Reactions within the Molecular Electron Density Theory.
Molecules
; 26(12)2021 Jun 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-34198640
12.
The Participation of 3,3,3-Trichloro-1-nitroprop-1-ene in the [3 + 2] Cycloaddition Reaction with Selected Nitrile N-Oxides in the Light of the Experimental and MEDT Quantum Chemical Study.
Molecules
; 26(22)2021 Nov 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-34833866
13.
Factors associated with the number of drugs in darunavir/cobicistat regimens.
J Antimicrob Chemother
; 75(1): 208-214, 2020 01 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-31586414
14.
A molecular electron density theory study of the enhanced reactivity of aza aromatic compounds participating in Diels-Alder reactions.
Org Biomol Chem
; 18(2): 292-304, 2020 01 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-31844866
15.
Unveiling the Lewis Acid Catalyzed Diels-Alder Reactions Through the Molecular Electron Density Theory.
Molecules
; 25(11)2020 May 29.
Artigo
em Inglês
| MEDLINE | ID: mdl-32486033
16.
Unveiling the Different Chemical Reactivity of Diphenyl Nitrilimine and Phenyl Nitrile Oxide in [3+2] Cycloaddition Reactions with (R)-Carvone through the Molecular Electron Density Theory.
Molecules
; 25(5)2020 Feb 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-32121114
17.
On the nature of organic electron density transfer complexes within molecular electron density theory.
Org Biomol Chem
; 17(26): 6478-6488, 2019 07 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-31218320
18.
Are one-step aromatic nucleophilic substitutions of non-activated benzenes concerted processes?
Org Biomol Chem
; 17(35): 8185-8193, 2019 09 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-31451810
19.
Unveiling the high reactivity of cyclohexynes in [3 + 2] cycloaddition reactions through the molecular electron density theory.
Org Biomol Chem
; 17(3): 498-508, 2019 01 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-30569052
20.
A Molecular Electron Density Theory Study of the Synthesis of Spirobipyrazolines through the Domino Reaction of Nitrilimines with Allenoates.
Molecules
; 24(22)2019 Nov 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-31744134