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4 articles related to "Excited Electronic States"

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Articles

Opinion

Published on 07 Apr 2015

Can Excited Electronic States of Macromolecules with Extended Pi-Systems be Reliably Predicted? A Case Study on P3HT

in Mechanics of Materials

Marcus Böckmann
Nikos L. Doltsinis

Frontiers in Materials

doi 10.3389/fmats.2015.00025

4,408 views
7 citations

Original Research

Published on 30 Oct 2020

Parallel Quantum Computation of Vibrational Dynamics

in Quantum Engineering and Technology

Ksenia Komarova
Hugo Gattuso
R. D. Levine
F. Remacle

Frontiers in Physics

doi 10.3389/fphy.2020.590699

4,881 views
6 citations

Perspective

Published on 17 Aug 2023

Interpretation and prediction of optical properties: novel fluorescent dyes as a test case

in Chemical Physics and Physical Chemistry

Xinxing Li
Xiuping Yin
Yue-Ling Bai
Malgorzata Biczysko

Frontiers in Physics

doi 10.3389/fphy.2023.1236987

3,652 views

Original Research

Published on 11 Dec 2024

Electronic structure of metal oxide dications with ammonia ligands and their reactivity towards the selective conversion of methane to methanol

in Theoretical and Computational Chemistry

Emily E. Claveau
Evangelos Miliordos

Frontiers in Chemistry

doi 10.3389/fchem.2024.1508515

1,599 views
2 citations