Electronic Excitations | List of Frontiers open access articles

Original Research

Published on 04 Sep 2020

Stability, Aromaticity, and Photophysical Behaviors of Macrocyclic Molecules: A Theoretical Analysis

in Theoretical and Computational Chemistry

Wei Wei
Wenhui Ren
Wei Jian
Baohui Xia
Hongxing Zhang
Fu-Quan Bai
Wei Li

Frontiers in Chemistry

doi 10.3389/fchem.2020.00776

3,807 views
11 citations

Original Research

Published on 14 Jul 2023

Disentangling the role of electrons and phonons in the photoinduced CO desorption and CO oxidation on (O,CO)-Ru(0001)

in Chemical Physics and Physical Chemistry

Auguste Tetenoire
J. Iñaki Juaristi
Maite Alducin

Frontiers in Chemistry

doi 10.3389/fchem.2023.1235176

2,883 views
5 citations

Review

Published on 09 Jul 2019

The GW Compendium: A Practical Guide to Theoretical Photoemission Spectroscopy

in Theoretical and Computational Chemistry

Dorothea Golze
Marc Dvorak
Patrick Rinke

Frontiers in Chemistry

doi 10.3389/fchem.2019.00377

66,903 views
395 citations

Original Research

Published on 19 Oct 2022

Coupling plasma physics and chemistry in the PIC model of electric propulsion: Application to an air-breathing, low-power Hall thruster

in Low-Temperature Plasma Physics

Francesco Taccogna
Filippo Cichocki
Pierpaolo Minelli

Frontiers in Physics

doi 10.3389/fphy.2022.1006994

4,258 views
13 citations

Mini Review

Published on 20 Oct 2020

Recent Advances in Self-Exciting Photodynamic Therapy

in Nanobiotechnology

Nicholas Thomas Blum
Yifan Zhang
Junle Qu
Jing Lin
Peng Huang

Frontiers in Bioengineering and Biotechnology

doi 10.3389/fbioe.2020.594491

9,651 views
64 citations

Original Research

Published on 15 Apr 2025

Effects of electronic excitation on cascade dynamics in tungsten

in Chemical Physics and Physical Chemistry

Shaoding Sheng
Shuwan Wei
Chengling Zhang
Chao Zhang
Guo Pu
Bing-Sheng Li

Frontiers in Physics

doi 10.3389/fphy.2025.1592186

2,001 views

Original Research

Published on 16 May 2019

Steric Switching From Photochemical to Thermal N2 Splitting: A Computational Analysis of the Isomerization Reaction {(Cp)(Am)Mo}2(μ-η1:η1-N2) → {(Cp)(Am)Mo}2(μ-N)2

in Theoretical and Computational Chemistry

Vera Krewald

Frontiers in Chemistry

doi 10.3389/fchem.2019.00352

3,460 views
6 citations

Articles

Stability, Aromaticity, and Photophysical Behaviors of Macrocyclic Molecules: A Theoretical Analysis

Disentangling the role of electrons and phonons in the photoinduced CO desorption and CO oxidation on (O,CO)-Ru(0001)

The GW Compendium: A Practical Guide to Theoretical Photoemission Spectroscopy

Coupling plasma physics and chemistry in the PIC model of electric propulsion: Application to an air-breathing, low-power Hall thruster

Recent Advances in Self-Exciting Photodynamic Therapy

Effects of electronic excitation on cascade dynamics in tungsten

Steric Switching From Photochemical to Thermal N2 Splitting: A Computational Analysis of the Isomerization Reaction {(Cp*)(Am)Mo}2(μ-η1:η1-N2) → {(Cp*)(Am)Mo}2(μ-N)2

Steric Switching From Photochemical to Thermal N2 Splitting: A Computational Analysis of the Isomerization Reaction {(Cp)(Am)Mo}2(μ-η1:η1-N2) → {(Cp)(Am)Mo}2(μ-N)2