Browsing by author "Peña Gallego, Maria De Los Angeles"

doctoralThesis
Química Física
Programa de Doutoramento en Química Teórica e Modelización Computacional/Theoretical Chemistry and Computacional Modelling (RD 99/2011)

Tracking the transition from pericyclic to pseudopericyclic reaction mechanisms using multicenter electron delocalization analysis: the [1,3] sigmatropic rearrangement

Perez Barcia, Álvaro

; Peña Gallego, Maria De Los Angeles

; Mandado Alonso, Marcos

article
Química Física

Browsing by author "Peña Gallego, Maria De Los Angeles"

Assessing the reversed exponential decay of the electrical conductance in molecular wires: the undeniable effect of static electron correlation ﻿

Chemoselectivity on the synthesis of iridacycles: A theoretical and experimental study ﻿

Chiroptical symmetry analysis of Trianglimines: a case study ﻿

Chiroptical symmetry analysis: exciton chirality-based formulae to understand the chiroptical responses of Cn and Dn symmetric systems ﻿

A computational study of two promising tweezers ﻿

Development of robust chiroptical systems through spirobifluorenes ﻿

Distinct helical molecular orbitals through conformational lock ﻿

The effect of spin polarization on the electron transport of molecular wires with diradical character ﻿

Key factors in the synthesis of polycyclic iridaaromatics via the methoxyalkenylcarbene pathway ﻿

Metallaaromatic biaryl atropisomers ﻿

ON/OFF Spiroconjugation through peripheral functionalization: impact on the reactivity and chiroptical properties of spirobifluorenes ﻿

Optical and electrochemical properties of spirobifluorene iridanaphthalene complexes ﻿

Spirobifluorene metallaaromatics ﻿

A tetracyanobutadiene spirobifluorene: synthesis, enantiomeric resolution and chiroptical properties ﻿

Theoretical and computational study of the electron transport in carbon based systems ﻿

Tracking the transition from pericyclic to pseudopericyclic reaction mechanisms using multicenter electron delocalization analysis: the [1,3] sigmatropic rearrangement ﻿

El Repositorio Institucional de la Universidade de Vigo Investigo se difunde en:

Assessing the reversed exponential decay of the electrical conductance in molecular wires: the undeniable effect of static electron correlation

Chemoselectivity on the synthesis of iridacycles: A theoretical and experimental study

Chiroptical symmetry analysis of Trianglimines: a case study

Chiroptical symmetry analysis: exciton chirality-based formulae to understand the chiroptical responses of Cn and Dn symmetric systems

A computational study of two promising tweezers

Development of robust chiroptical systems through spirobifluorenes

Distinct helical molecular orbitals through conformational lock

The effect of spin polarization on the electron transport of molecular wires with diradical character

Key factors in the synthesis of polycyclic iridaaromatics via the methoxyalkenylcarbene pathway

Metallaaromatic biaryl atropisomers

ON/OFF Spiroconjugation through peripheral functionalization: impact on the reactivity and chiroptical properties of spirobifluorenes

Optical and electrochemical properties of spirobifluorene iridanaphthalene complexes

Spirobifluorene metallaaromatics

A tetracyanobutadiene spirobifluorene: synthesis, enantiomeric resolution and chiroptical properties

Theoretical and computational study of the electron transport in carbon based systems

Tracking the transition from pericyclic to pseudopericyclic reaction mechanisms using multicenter electron delocalization analysis: the [1,3] sigmatropic rearrangement