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Transition-Based Constrained DFT for the Robust and Reliable Treatment of Excitations in Supramolecular Systems. (2022)

First Author: Stella M

Attributed to: Multi-Scale Framework for Quantum Mechanical Simulations of Organic Electronics funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1021/acs.jctc.1c00548

PubMed Identifier: 35471972

Publication URI: http://europepmc.org/abstract/MED/35471972

Type: Journal Article/Review

Volume: 18

Parent Publication: Journal of chemical theory and computation

Issue: 5

ISSN: 1549-9618