138 related articles for article (PubMed ID: 35180573)
1. Unraveling the sequence of electron flow along the cyclocondensation reaction between ciprofloxacin and thiosemicarbazide through the bonding evolution theory.
Mbah MB; Adjieufack AI; Nguimkeu CN; Malloum A; Abouem A Zintchem A; Bebga G; Ndassa IM
J Mol Graph Model; 2022 Jun; 113():108141. PubMed ID: 35180573
[TBL] [Abstract][Full Text] [Related]
2. Decoding the reaction mechanism of the cyclocondensation of ethyl acetate2-oxo-2-(4-oxo-4H-pyrido [1.2-a] pyrimidin-3-yl) polyazaheterocycle and ethylenediamine using bond evolution theory.
Maraf MB; Idrice AA; Mekoung Pélagie MA; Zintchem AAA; Bebga G; Rhyman L; Ibrahim MN; Ramasami P
J Comput Chem; 2022 May; 43(14):972-985. PubMed ID: 35383996
[TBL] [Abstract][Full Text] [Related]
3. Oxygen atom transfer reactions from Mimoun complexes to sulfides and sulfoxides. A bonding evolution theory analysis.
González-Navarrete P; Sensato FR; Andrés J; Longo E
J Phys Chem A; 2014 Aug; 118(31):6092-103. PubMed ID: 25010751
[TBL] [Abstract][Full Text] [Related]
4. Electronic fluxes during Diels-Alder reactions involving 1,2-benzoquinones: mechanistic insights from the analysis of electron localization function and catastrophe theory.
González-Navarrete P; Domingo LR; Andrés J; Berski S; Silvi B
J Comput Chem; 2012 Nov; 33(30):2400-11. PubMed ID: 22865398
[TBL] [Abstract][Full Text] [Related]
5. A joint study based on the electron localization function and catastrophe theory of the chameleonic and centauric models for the Cope rearrangement of 1,5-hexadiene and its cyano derivatives.
Polo V; Andrés J
J Comput Chem; 2005 Nov; 26(14):1427-37. PubMed ID: 16082660
[TBL] [Abstract][Full Text] [Related]
6. Density Functional Theory Investigation of the Binding of ThioTEPA to Purine Bases: Thermodynamics and Bond Evolution Theory Analysis.
Cherni E; Adjieufack AI; Champagne B; Abderrabba M; Ayadi S; Liégeois V
J Phys Chem A; 2020 May; 124(20):4068-4080. PubMed ID: 32324408
[TBL] [Abstract][Full Text] [Related]
7. Exploring the Mechanism of the Intramolecular Diels-Alder Reaction of (2
Adjieufack AI; Ongagna JM; Essomba JS; Ewonkem MB; Oliva M; Safont VS; Andrés J
Molecules; 2023 Sep; 28(19):. PubMed ID: 37836598
[TBL] [Abstract][Full Text] [Related]
8. Understanding reaction mechanisms in organic chemistry from catastrophe theory applied to the electron localization function topology.
Polo V; Andres J; Berski S; Domingo LR; Silvi B
J Phys Chem A; 2008 Aug; 112(31):7128-36. PubMed ID: 18557601
[TBL] [Abstract][Full Text] [Related]
9. Curly arrows meet electron density transfers in chemical reaction mechanisms: from electron localization function (ELF) analysis to valence-shell electron-pair repulsion (VSEPR) inspired interpretation.
Andrés J; Berski S; Silvi B
Chem Commun (Camb); 2016 Jul; 52(53):8183-95. PubMed ID: 27218123
[TBL] [Abstract][Full Text] [Related]
10. Nature of the ring-closure process along the rearrangement of octa-1,3,5,7-tetraene to cycloocta-1,3,5-triene from the perspective of the electron localization function and catastrophe theory.
Andrés J; Berski S; Domingo LR; González-Navarrete P
J Comput Chem; 2012 Mar; 33(7):748-56. PubMed ID: 22183786
[TBL] [Abstract][Full Text] [Related]
11. Unraveling the sequence of electron flows along the reaction mechanism by quantum topological tools: The 32CA reaction of acetonitrile oxide with 7-bromo-oxanorborn-5-en-2-one.
Idrice AA; Karelle DL; Rene Blaise LN; Maraf MB; Cyrille NN; Alphonse E; Mbadcam KJ; Ibrahim MN
J Mol Graph Model; 2020 May; 96():107513. PubMed ID: 31881470
[TBL] [Abstract][Full Text] [Related]
12. On the electron flow sequence driving the hydrometallation of acetylene by lithium hydride.
Chamorro E; Duque-Noreña M; Kaya S; Rincón E; Pérez P
J Mol Model; 2018 Oct; 24(10):305. PubMed ID: 30284057
[TBL] [Abstract][Full Text] [Related]
13. A comprehensive theoretical analysis of Curtius rearrangement of syn-syn and syn-anti conformers of oxalyl diazide.
Taherian R; Chahkandi B; Zahedi E
J Mol Graph Model; 2021 Dec; 109():108012. PubMed ID: 34478927
[TBL] [Abstract][Full Text] [Related]
14. Exploring The Sequence of Electron Density Along The Chemical Reactions Between Carbonyl Oxides And Ammonia/Water Using Bond Evolution Theory.
Adjieufack AI; Bake MM; Nguimkeu CN; Pilmé J; Ndassa IM
Chemphyschem; 2021 Sep; 22(17):1792-1801. PubMed ID: 34197684
[TBL] [Abstract][Full Text] [Related]
15. Olefin epoxidation by molybdenum peroxo compound: molecular mechanism characterized by the electron localization function and catastrophe theory.
Berski S; Sensato FR; Polo V; Andrés J; Safont VS
J Phys Chem A; 2011 Feb; 115(4):514-22. PubMed ID: 21190350
[TBL] [Abstract][Full Text] [Related]
16. A molecular electron density theory study on the [3+2] cycloaddition reaction of 5,5-dimethyl-1-pyrroline N-oxide with 2-cyclopentenone.
Soleymani M; Kazemi Chegeni Z
J Mol Graph Model; 2019 Nov; 92():256-266. PubMed ID: 31422198
[TBL] [Abstract][Full Text] [Related]
17. Joint Use of Bonding Evolution Theory and QM/MM Hybrid Method for Understanding the Hydrogen Abstraction Mechanism via Cytochrome P450 Aromatase.
Viciano I; González-Navarrete P; Andrés J; Martí S
J Chem Theory Comput; 2015 Apr; 11(4):1470-80. PubMed ID: 26574358
[TBL] [Abstract][Full Text] [Related]
18. Activation of C-H bond in methane by Pd atom from the bonding evolution theory perspective.
Nizovtsev AS
J Comput Chem; 2013 Aug; 34(22):1917-24. PubMed ID: 23749411
[TBL] [Abstract][Full Text] [Related]
19. BET & ELF Quantum Topological Analysis of Neutral 2-Aza-Cope Rearrangement of γ-Alkenyl Nitrones.
Merino P; Chiacchio MA; Legnani L; Tejero T
Molecules; 2017 Aug; 22(8):. PubMed ID: 28825616
[TBL] [Abstract][Full Text] [Related]
20. Curly arrows, electron flow, and reaction mechanisms from the perspective of the bonding evolution theory.
Andrés J; González-Navarrete P; Safont VS; Silvi B
Phys Chem Chem Phys; 2017 Nov; 19(43):29031-29046. PubMed ID: 29077108
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]