Detalles de la búsqueda
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.
Artículo
en Inglés
| 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.
Artículo
en Inglés
| MEDLINE | ID: mdl-37013716
3.
New spiro-indeno[1,2-b]quinoxalines clubbed with benzimidazole scaffold as CDK2 inhibitors for halting non-small cell lung cancer; stereoselective synthesis, molecular dynamics and structural insights.
J Enzyme Inhib Med Chem
; 38(1): 2281260, 2023 Dec.
Artículo
en Inglés
| MEDLINE | ID: mdl-37994663
4.
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.
Artículo
en Inglés
| MEDLINE | ID: mdl-37687040
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.
Artículo
en Inglés
| MEDLINE | ID: mdl-36477950
6.
Design, Synthesis and In Vitro Evaluation of Spirooxindole-Based Phenylsulfonyl Moiety as a Candidate Anti-SAR-CoV-2 and MERS-CoV-2 with the Implementation of Combination Studies.
Int J Mol Sci
; 23(19)2022 Oct 06.
Artículo
en Inglés
| MEDLINE | ID: mdl-36233160
7.
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.
Artículo
en Inglés
| MEDLINE | ID: mdl-36235069
8.
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.
Artículo
en Inglés
| MEDLINE | ID: mdl-34464534
9.
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.
Artículo
en Inglés
| MEDLINE | ID: mdl-34651154
10.
Closer Investigation of the Kinetics and Mechanism of Spirovinylcyclopropyl Oxindole Reaction with 3Σ-g-O2 by Topological Approaches and Unraveling the Role of the I2 Catalyst.
J Phys Chem A
; 125(32): 6913-6926, 2021 Aug 19.
Artículo
en Inglés
| MEDLINE | ID: mdl-34369789
11.
Unveiling the Ionic Diels-Alder Reactions within the Molecular Electron Density Theory.
Molecules
; 26(12)2021 Jun 14.
Artículo
en Inglés
| MEDLINE | ID: mdl-34198640
12.
Straightforward Regio- and Diastereoselective Synthesis, Molecular Structure, Intermolecular Interactions and Mechanistic Study of Spirooxindole-Engrafted Rhodanine Analogs.
Molecules
; 26(23)2021 Nov 30.
Artículo
en Inglés
| MEDLINE | ID: mdl-34885853
13.
Lithium Cation-Catalyzed Benzene Diels-Alder Reaction: Insights on the Molecular Mechanism Within the Molecular Electron Density Theory.
J Org Chem
; 85(20): 13121-13132, 2020 Oct 16.
Artículo
en Inglés
| MEDLINE | ID: mdl-32870671
14.
A Close Look to the Oxaphosphetane Formation along the Wittig Reaction: A [2+2] Cycloaddition?
J Org Chem
; 85(10): 6675-6686, 2020 May 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-32293888
15.
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.
Artículo
en Inglés
| MEDLINE | ID: mdl-31844866
16.
Unveiling the Lewis Acid Catalyzed Diels-Alder Reactions Through the Molecular Electron Density Theory.
Molecules
; 25(11)2020 May 29.
Artículo
en Inglés
| MEDLINE | ID: mdl-32486033
17.
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.
Artículo
en Inglés
| MEDLINE | ID: mdl-32121114
18.
On the nature of organic electron density transfer complexes within molecular electron density theory.
Org Biomol Chem
; 17(26): 6478-6488, 2019 07 14.
Artículo
en Inglés
| MEDLINE | ID: mdl-31218320
19.
Are one-step aromatic nucleophilic substitutions of non-activated benzenes concerted processes?
Org Biomol Chem
; 17(35): 8185-8193, 2019 09 21.
Artículo
en Inglés
| MEDLINE | ID: mdl-31451810
20.
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.
Artículo
en Inglés
| MEDLINE | ID: mdl-30569052