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Toward a formulation of a CISS theory with the inclusion of two-particle relativistic effects, electron-phonon coupling, and electron-electron correlation. An application to NMR-based chiral discrimination.

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Bibliographic Details
Title: Toward a formulation of a CISS theory with the inclusion of two-particle relativistic effects, electron-phonon coupling, and electron-electron correlation. An application to NMR-based chiral discrimination.
Authors: Ludeña EV; School of Physical Sciences and Nanotechnology, Yachay Tech University, Urcuqui, Ecuador.; Chemistry Center, Venezuelan Institute for Scientific Research, IVIC, Apartado 21827, Caracas 1020A, Venezuela.; Donostia International Physics Center, DIPC, Paseo Manuel de Lardizabal, 4, 20018 Donostia-San Sebastian, Spain., Ugalde JM; Donostia International Physics Center, DIPC, Paseo Manuel de Lardizabal, 4, 20018 Donostia-San Sebastian, Spain., Lopez X; Donostia International Physics Center, DIPC, Paseo Manuel de Lardizabal, 4, 20018 Donostia-San Sebastian, Spain.; Department of Chemistry, Euskal Herriko Univertsitatea, Donostia, Spain., Bouchard LS; Department of Chemistry and Biochemistry, University of California Los Angeles, 607 Charles E. Young Drive East, Los Angeles, California 90095-1059, USA., Mujica V; Department of Chemistry, Euskal Herriko Univertsitatea, Donostia, Spain.; School of Molecular Sciences, Arizona State University, Tempe, Arizona 85287, USA.
Source: The Journal of chemical physics [J Chem Phys] 2025 Sep 28; Vol. 163 (12).
Publication Type: Journal Article
Journal Info: Publisher: American Institute of Physics Country of Publication: United States NLM ID: 0375360 Publication Model: Print Cited Medium: Internet ISSN: 1089-7690 (Electronic) Linking ISSN: 00219606 NLM ISO Abbreviation: J Chem Phys Subsets: MEDLINE; PubMed not MEDLINE
Database: MEDLINE Ultimate
Description
ISSN:1089-7690
DOI:10.1063/5.0272982