Results 161 to 170 of about 11,852,044 (174)

A molecular electron density theory study of the bimolecular nucleophilic substitution reactions on monosubstituted methyl compounds

Organic & Biomolecular Chemistry
ELF and AIM topological analyses of the electron density in the transition state structures of the S N 2 reactions of monosubstituted methyl compounds reveal a central CH 3 + carbocation strongly stabilized by the two adjacent ...
Luis R. Domingo, Patricia Pérez, Mar Ríos-Gutiérrez, M. José Aurell   +3 more
openaire   +2 more sources

Molecular Electron Density Theory: A New Theoretical Outlook on Organic Chemistry

2020
Luis R. Domingo, Nivedita Acharjee
openaire   +1 more source

Understanding the Reactivity of Trimethylsilyldiazoalkanes Participating in [3+2] Cycloaddition Reactions towards Diethylfumarate with a Molecular Electron Density Theory Perspective

Organics, 2020
Nivedita Acharjee, Luis R Domingo, Haydar Mohammad Salim   +2 more
exaly  

Unravelling [3+2] Cycloaddition Reactions through the Molecular Electron Density Theory

2018
Después de la primera clasificación de las reacciones 32CA en reacciones de tipo zw y pr, establecidas en el año 2014, la estructura y reactividad de los TACs más importantes utilizados en las reacciones 32CA ha sido completamente caracterizado en base a la MEDT propuesta recientemente.
openaire   +1 more source

A Molecular Electron Density Theory Study of the Lewis Acid Catalyzed [3+2] Cycloaddition Reactions of Nitrones with Nucleophilic Ethylenes

European Journal of Organic Chemistry, 2022
Nivedita Acharjee, Mar Rios-Gutierrez, Luis R Domingo   +2 more
exaly  

Understanding the Origin of the Regioselectivity in Non-Polar [3+2] Cycloaddition Reactions through the Molecular Electron Density Theory

Organics, 2020
Mar Rios-Gutierrez, Luis R Domingo, Jorge Castellanos Soriano   +2 more
exaly  

Unveiling the Reactivity of Cyclic Azomethine Ylides in [3+2] Cycloaddition Reactions within the Molecular Electron Density Theory

European Journal of Organic Chemistry, 2020
Mar Rios-Gutierrez, Karolina Kula, Luis R Domingo   +2 more
exaly  

A Molecular Electron Density Theory Study of the [3+2] Cycloaddition Reaction of Pseudo(mono)radical Azomethine Ylides with Phenyl Vinyl Sulphone

Organics, 2022
Mar Rios-Gutierrez, Luis R Domingo, Assem Barakat   +2 more
exaly  

Participation of Phosphorylated Analogues of Nitroethene in Diels–Alder Reactions with Anthracene: A Molecular Electron Density Theory Study and Mechanistic Aspect

Organics, 2020
Agnieszka Kącka-Zych
exaly  

Understanding the Mechanism of Nitrobenzene Nitration with Nitronium Ion: A Molecular Electron Density Theory Study

ChemistrySelect, 2019
Abel Idrice Adjieufack, Mar Rios-Gutierrez, Luis R Domingo   +2 more
exaly