A chemical perspective of the 100 years of quantum mechanics

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dc.catalogadorgrr
dc.contributor.authorToro Labbé, Alejandro
dc.date.accessioned2025-11-11T16:09:44Z
dc.date.available2025-11-11T16:09:44Z
dc.date.issued2025
dc.description.abstractThis essay presents an examination of the rise and evolution of quantum mechanics, approached from a chemical viewpoint. The emergence of quantum mechanics have led to significant progress and discoveries in chemistry, offering well grounded and rigorous concepts to rationalize the observed behavior of matter. Quantum chemistry’s progress is credited to the application of quantum mechanics in molecular systems, with the objective of characterizing their electronic structures and elucidating their properties and reactivity. The link between the reactivity principles that govern the behavior of matter in classical chemistry and specific global electronic properties identified in quantum chemistry is well recognized. Notably, the electronic chemical potential is highlighted as a crucial property for uncovering the nature of matter and its chemical transformation processes. It plays an essential role in influencing molecular reactivity and is crucial for evaluating reaction mechanisms through its first derivative, known as the reaction electronic flux. In addition, the local baselineelectronic activity within molecular systems is briefly examined, this is a nonreactive electronic activity that arises from the vibrational dynamics intrinsic to molecular systems, it is also characterized via the electronic chemical potential, thus confirming the relevance of the later property in chemistry.
dc.format.extent15 páginas
dc.fuente.origenORCID
dc.identifier.doi10.1515/pac-2025-0543
dc.identifier.eissn1365-3075
dc.identifier.issn0033-4545
dc.identifier.urihttps://doi.org/10.1515/pac-2025-0543
dc.identifier.urihttps://repositorio.uc.cl/handle/11534/106726
dc.identifier.wosidWOS:001607087500001
dc.information.autorucEscuela de Química; Toro Labbé, Alejandro; 0000-0001-9906-2153; 99827
dc.language.isoen
dc.nota.accesocontenido parcial
dc.revistaPure and Applied Chemistry
dc.rightsacceso restringido
dc.subjectBond electronic flux
dc.subjectElectronic population
dc.subjectElectronic structure
dc.subjectPerpective
dc.subjectQuantum chemistry
dc.subjectReaction electronic flux
dc.subject.ddc510
dc.subject.deweyMatemática física y químicaes_ES
dc.titleA chemical perspective of the 100 years of quantum mechanics
dc.typeartículo
sipa.codpersvinculados99827
sipa.trazabilidadORCID;2025-11-10
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