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We perform a theoretical study on its SFVS, which is in good agreement with the experimental results. Its strong SFVS mainly comes from the interfacial electric quadrupole hyperpolarizability rather than the symmetry-breaking electric dipole, bulk electric quadrupole, and interfacial and bulk magnetic dipole hyperpolarizabilities, which provides a novel and completely unconventional point of view.<\/jats:p>","DOI":"10.1063\/5.0139895","type":"journal-article","created":{"date-parts":[[2023,1,30]],"date-time":"2023-01-30T19:05:32Z","timestamp":1675105532000},"update-policy":"https:\/\/doi.org\/10.1063\/aip-crossmark-policy-page","source":"Crossref","is-referenced-by-count":16,"title":["Sum-frequency vibrational spectroscopy of centrosymmetric molecule at interfaces"],"prefix":"10.1063","volume":"158","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-0236-9675","authenticated-orcid":false,"given":"Ren-Hui","family":"Zheng","sequence":"first","affiliation":[{"name":"Beijing National Laboratory for Molecular Sciences, State Key Laboratory for Structural Chemistry of Unstable and Stable Species, Institute of Chemistry, Chinese Academy of Sciences 1 , Zhongguancun, Beijing 100190, People\u2019s Republic of China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9072-6232","authenticated-orcid":false,"given":"Wen-Mei","family":"Wei","sequence":"additional","affiliation":[{"name":"Department of Chemistry, College of Basic Medicine, Anhui Medical University 2 , Hefei, Anhui 230032, People\u2019s Republic of China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1582-0645","authenticated-orcid":false,"given":"Shuo-Cang","family":"Zhang","sequence":"additional","affiliation":[{"name":"Beijing National Laboratory for Molecular Sciences, State Key Laboratory for Structural Chemistry of Unstable and Stable Species, Institute of Chemistry, Chinese Academy of Sciences 1 , Zhongguancun, Beijing 100190, People\u2019s Republic of China"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"317","published-online":{"date-parts":[[2023,2,15]]},"reference":[{"key":"2023081022575822900_c1","doi-asserted-by":"publisher","first-page":"1945","DOI":"10.1126\/science.1131536","volume":"313","year":"2006","journal-title":"Science"},{"key":"2023081022575822900_c2","doi-asserted-by":"publisher","first-page":"192","DOI":"10.1038\/nature10173","volume":"474","year":"2011","journal-title":"Nature"},{"key":"2023081022575822900_c3","doi-asserted-by":"publisher","first-page":"629","DOI":"10.1080\/01442350802343981","volume":"27","year":"2008","journal-title":"Int. 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