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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| 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. |
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| 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 |
| FullText | Text: Availability: 0 |
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| Header | DbId: mdl DbLabel: MEDLINE Ultimate An: 40990425 AccessLevel: 2 PubType: Academic Journal PubTypeId: academicJournal PreciseRelevancyScore: 0 |
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| Items | – Name: Title Label: Title Group: Ti Data: 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. – Name: Author Label: Authors Group: Au Data: <searchLink fieldCode="AU" term="%22Ludeña+EV%22">Ludeña EV</searchLink>; 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.<br /><searchLink fieldCode="AU" term="%22Ugalde+JM%22">Ugalde JM</searchLink>; Donostia International Physics Center, DIPC, Paseo Manuel de Lardizabal, 4, 20018 Donostia-San Sebastian, Spain.<br /><searchLink fieldCode="AU" term="%22Lopez+X%22">Lopez X</searchLink>; Donostia International Physics Center, DIPC, Paseo Manuel de Lardizabal, 4, 20018 Donostia-San Sebastian, Spain.; Department of Chemistry, Euskal Herriko Univertsitatea, Donostia, Spain.<br /><searchLink fieldCode="AU" term="%22Bouchard+LS%22">Bouchard LS</searchLink>; Department of Chemistry and Biochemistry, University of California Los Angeles, 607 Charles E. Young Drive East, Los Angeles, California 90095-1059, USA.<br /><searchLink fieldCode="AU" term="%22Mujica+V%22">Mujica V</searchLink>; Department of Chemistry, Euskal Herriko Univertsitatea, Donostia, Spain.; School of Molecular Sciences, Arizona State University, Tempe, Arizona 85287, USA. – Name: TitleSource Label: Source Group: Src Data: <searchLink fieldCode="JN" term="%220375360%22">The Journal of chemical physics</searchLink> [J Chem Phys] 2025 Sep 28; Vol. 163 (12). – Name: TypePub Label: Publication Type Group: TypPub Data: Journal Article – Name: TitleSource Label: Journal Info Group: Src Data: <i>Publisher: </i><searchLink fieldCode="PB" term="%22American+Institute+of+Physics%22">American Institute of Physics </searchLink><i>Country of Publication: </i>United States <i>NLM ID: </i>0375360 <i>Publication Model: </i>Print <i>Cited Medium: </i>Internet <i>ISSN: </i>1089-7690 (Electronic) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%2200219606%22">00219606 </searchLink><i>NLM ISO Abbreviation: </i>J Chem Phys <i>Subsets: </i>MEDLINE; PubMed not MEDLINE |
| PLink | https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=mdl&AN=40990425 |
| RecordInfo | BibRecord: BibEntity: Identifiers: – Type: doi Value: 10.1063/5.0272982 Languages: – Code: eng Text: English Titles: – TitleFull: 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. Type: main BibRelationships: HasContributorRelationships: – PersonEntity: Name: NameFull: Ludeña EV – PersonEntity: Name: NameFull: Ugalde JM – PersonEntity: Name: NameFull: Lopez X – PersonEntity: Name: NameFull: Bouchard LS – PersonEntity: Name: NameFull: Mujica V IsPartOfRelationships: – BibEntity: Dates: – D: 28 M: 09 Text: 2025 Sep 28 Type: published Y: 2025 Identifiers: – Type: issn-electronic Value: 1089-7690 Numbering: – Type: volume Value: 163 – Type: issue Value: 12 Titles: – TitleFull: The Journal of chemical physics Type: main |
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