Results 21 to 30 of about 1,131 (195)

Intraoperative radiation therapy, opportunities for clinical practice normalization: MEDTING, a scientific platform [PDF]

Reports of Practical Oncology & Radiotherapy, 2014
To use a platform to analyze a subgroup specialized in evaluation of patients candidates to IOERT.Medting is a project that was initiated to support daily clinical activity, knowledge management and medical education by sharing information with other physicians.
Calvo, Felipe A., Murillo, Laura Alonso, Sallabanda, Morena, Martinez-Villanueva, Javier, Herranz, Rafael, Sole, Claudio V.   +5 more
openaire   +2 more sources

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, 2021
The regioselective zw-type [3 + 2] cycloaddition (32CA) reactions of a series of aryl-substituted nitrile N-oxides (NOs) with trichloronitropropene (TNP) have been both experimentally and theoretically studied within the Molecular Electron Density Theory
Karolina Zawadzińska, Mar Ríos-Gutiérrez, Karolina Kula, Przemysław Woliński, Barbara Mirosław, Tomasz Krawczyk, Radomir Jasiński   +6 more
doaj   +1 more source

Unveiling the Unexpected Reactivity of Electrophilic Diazoalkanes in [3+2] Cycloaddition Reactions within Molecular Electron Density Theory

Chemistry, 2021
The [3+2] cycloaddition (32CA) reactions of strongly nucleophilic norbornadiene (NBD), with simplest diazoalkane (DAA) and three DAAs of increased electrophilicity, have been studied within the Molecular Electron Density Theory (MEDT) at the MPWB1K/6 ...
Luis R. Domingo, Mar Ríos-Gutiérrez, Nivedita Acharjee   +2 more
doaj   +1 more source

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, 2020
The [3+2] cycloaddition (32CA) reactions of diphenyl nitrilimine and phenyl nitrile oxide with (R)-carvone have been studied within the Molecular Electron Density Theory (MEDT). Electron localisation function (ELF) analysis of these three-atom-components
Mar Ríos-Gutiérrez, Luis R. Domingo, M’hamed Esseffar, Ali Oubella, My Youssef Ait Itto   +4 more
doaj   +1 more source

Unveiling the Ionic Diels–Alder Reactions within the Molecular Electron Density Theory

Molecules, 2021
The ionic Diels–Alder (I-DA) reactions of a series of six iminium cations with cyclopentadiene have been studied within the Molecular Electron Density Theory (MEDT).
Luis R. Domingo, Mar Ríos-Gutiérrez, María José Aurell   +2 more
doaj   +1 more source

Molecular Electron Density Theory: A Modern View of Reactivity in Organic Chemistry

Molecules, 2016
A new theory for the study of the reactivity in Organic Chemistry, named Molecular Electron Density Theory (MEDT), is proposed herein. MEDT is based on the idea that while the electron density distribution at the ground state is responsible for physical ...
Luis R. Domingo
doaj   +1 more source

Unveiling the Lewis Acid Catalyzed Diels–Alder Reactions Through the Molecular Electron Density Theory

Molecules, 2020
The effects of metal-based Lewis acid (LA) catalysts on the reaction rate and regioselectivity in polar Diels–Alder (P-DA) reactions has been analyzed within the molecular electron density theory (MEDT).
Luis R. Domingo, Mar Ríos-Gutiérrez, Patricia Pérez   +2 more
doaj   +1 more source

CDFT-Based Reactivity Descriptors as a Useful MEDT Chemoinformatics Tool for the Study of the Virotoxin Family of Fungal Peptides [PDF]

Molecules, 2019
Virotoxins are monocyclic peptides formed by at least five different compounds: alaviroidin, viroisin, deoxoviroisin, viroidin and deoxovirodin. These are toxic peptides singularly found in Amanita virosa mushrooms. Here we perform computational studies on the structural and electronic conformations of these peptides using the MN12SX/Def2TZVP/H2O ...
Norma Flores-Holguín, Juan Frau, Daniel Glossman-Mitnik   +2 more
openaire   +5 more sources

A Molecular Electron Density Theory Study of the Domino Reaction of N-Phenyl Iminoboranes with Benzaldehyde Yielding Fused Bicyclic Compounds

Molecules, 2023
The reaction of N-phenyl iminoborane with benzaldehyde yielding a fused aromatic compound, recently reported by Liu et al., has been studied within the Molecular Electron Density Theory (MEDT). Formation of the fused aromatic compound is a domino process
Luis R. Domingo, María José Aurell, Mar Ríos-Gutiérrez   +2 more
doaj   +1 more source

Understanding the different reactivity of ( Z )- and ( E )-β-nitrostyrenes in [3+2] cycloaddition reactions. An MEDT study

RSC Advances, 2021
The different reactivity and selectivities of isomeric E / Z β-nitrostyrenes in polar zw-type [3+2] cycloaddition reactions is explained within MEDT.
Mar Ríos-Gutiérrez, Luis R. Domingo, Radomir Jasiński   +2 more
openaire   +4 more sources