date: 2018-07-04T11:48:08Z pdf:PDFVersion: 1.4 pdf:docinfo:title: Sensitivity of core-level spectroscopy to electrostatic environments of nitrile groups: An ab initio study xmp:CreatorTool: Arbortext Advanced Print Publisher 9.0.114/W access_permission:can_print_degraded: true subject: Structural Dynamics 2017.4:054102 dc:format: application/pdf; version=1.4 pdf:docinfo:creator_tool: Arbortext Advanced Print Publisher 9.0.114/W access_permission:fill_in_form: true pdf:encrypted: false dc:title: Sensitivity of core-level spectroscopy to electrostatic environments of nitrile groups: An ab initio study modified: 2018-07-04T11:48:08Z cp:subject: Structural Dynamics 2017.4:054102 pdf:docinfo:custom:CrossMarkDomains[1]: aip.org pdf:docinfo:subject: Structural Dynamics 2017.4:054102 pdf:docinfo:creator: Abid Hussain, Nils Huse, Oriol Vendrell meta:author: Abid Hussain, Nils Huse, Oriol Vendrell meta:creation-date: 2017-09-22T16:48:48Z pdf:docinfo:custom:CrossmarkMajorVersionDate: 2017-09-25 created: 2017-09-22T16:48:48Z access_permission:extract_for_accessibility: true Creation-Date: 2017-09-22T16:48:48Z pdf:docinfo:custom:doi: 10.1063/1.5003404 pdf:docinfo:custom:CrossmarkDomainExclusive: true Author: Abid Hussain, Nils Huse, Oriol Vendrell producer: iText 4.2.0 by 1T3XT CrossmarkDomainExclusive: true pdf:docinfo:producer: iText 4.2.0 by 1T3XT doi: 10.1063/1.5003404 pdf:unmappedUnicodeCharsPerPage: 0 Keywords: ab initio calculations,electronic structure,electrostatics,organic compounds,quantum chemistry,Raman spectra access_permission:modify_annotations: true dc:creator: Abid Hussain, Nils Huse, Oriol Vendrell dcterms:created: 2017-09-22T16:48:48Z Last-Modified: 2018-07-04T11:48:08Z dcterms:modified: 2018-07-04T11:48:08Z title: Sensitivity of core-level spectroscopy to electrostatic environments of nitrile groups: An ab initio study Last-Save-Date: 2018-07-04T11:48:08Z CrossMarkDomains[1]: aip.org pdf:docinfo:keywords: ab initio calculations,electronic structure,electrostatics,organic compounds,quantum chemistry,Raman spectra pdf:docinfo:modified: 2018-07-04T11:48:08Z meta:save-date: 2018-07-04T11:48:08Z Content-Type: application/pdf X-Parsed-By: org.apache.tika.parser.DefaultParser creator: Abid Hussain, Nils Huse, Oriol Vendrell dc:subject: ab initio calculations,electronic structure,electrostatics,organic compounds,quantum chemistry,Raman spectra access_permission:assemble_document: true xmpTPg:NPages: 12 pdf:charsPerPage: 1316 access_permission:extract_content: true access_permission:can_print: true meta:keyword: ab initio calculations,electronic structure,electrostatics,organic compounds,quantum chemistry,Raman spectra access_permission:can_modify: true pdf:docinfo:created: 2017-09-22T16:48:48Z CrossmarkMajorVersionDate: 2017-09-25