{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,2,20]],"date-time":"2026-02-20T06:00:22Z","timestamp":1771567222895,"version":"3.50.1"},"reference-count":57,"publisher":"MDPI AG","issue":"4","license":[{"start":{"date-parts":[[2022,4,14]],"date-time":"2022-04-14T00:00:00Z","timestamp":1649894400000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["22031009, 21921001, 22075282, 61874122"],"award-info":[{"award-number":["22031009, 21921001, 22075282, 61874122"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100012166","name":"National Key Research and Development Program of China","doi-asserted-by":"publisher","award":["2021YFB3601501"],"award-info":[{"award-number":["2021YFB3601501"]}],"id":[{"id":"10.13039\/501100012166","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100003392","name":"Natural Science Foundation of Fujian Province","doi-asserted-by":"publisher","award":["2019J05151, 2019J01121"],"award-info":[{"award-number":["2019J05151, 2019J01121"]}],"id":[{"id":"10.13039\/501100003392","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100004739","name":"Youth Innovation Promotion Association","doi-asserted-by":"publisher","award":["2019302"],"award-info":[{"award-number":["2019302"]}],"id":[{"id":"10.13039\/501100004739","id-type":"DOI","asserted-by":"publisher"}]},{"name":"Fujian Science &amp; Technology Innovation Laboratory for Optoelectronic Information of China","award":["2021ZR123"],"award-info":[{"award-number":["2021ZR123"]}]},{"DOI":"10.13039\/100000001","name":"National Science Foundation","doi-asserted-by":"publisher","award":["DMR-2004455"],"award-info":[{"award-number":["DMR-2004455"]}],"id":[{"id":"10.13039\/100000001","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Symmetry"],"abstract":"<jats:p>Noncentrosymmetric hybrid framework (HF) materials are an important system in discovering new practical second-order nonlinear optical materials. We calculated the second harmonic generation (SHG) response of a noncentrosymmetric (NCS) organic\u2013inorganic HF compound, CuMoO3(p2c) (p2c = pyrazine-2-carboxylate) to find that it exhibits the largest SHG response among all known NCS HF materials with one-dimensional helical chains. Further atom response theory analysis revealed that the metal atoms Cu and Mo contribute much more strongly than do nonmetal atoms in determining the strength of the SHG response, which is a novel example in nonlinear optical materials known to date.<\/jats:p>","DOI":"10.3390\/sym14040824","type":"journal-article","created":{"date-parts":[[2022,4,20]],"date-time":"2022-04-20T00:22:43Z","timestamp":1650414163000},"page":"824","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":2,"title":["Prediction of Large Second Harmonic Generation in the Metal-Oxide\/Organic Hybrid Compound CuMoO3(p2c)"],"prefix":"10.3390","volume":"14","author":[{"given":"Tingting","family":"Yang","sequence":"first","affiliation":[{"name":"College of Chemistry, Fuzhou University, Fuzhou 350116, China"},{"name":"State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter (FJIRSM), Chinese Academy of Sciences (CAS), Fuzhou 350002, China"}]},{"given":"Xueli","family":"Huang","sequence":"additional","affiliation":[{"name":"College of Chemistry, Fuzhou University, Fuzhou 350116, China"},{"name":"State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter (FJIRSM), Chinese Academy of Sciences (CAS), Fuzhou 350002, China"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2440-394X","authenticated-orcid":false,"given":"Xiyue","family":"Cheng","sequence":"additional","affiliation":[{"name":"State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter (FJIRSM), Chinese Academy of Sciences (CAS), Fuzhou 350002, China"},{"name":"Fujian Science and Technology Innovation Laboratory for Optoelectronic Information of China, Fuzhou 350108, China"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3909-1590","authenticated-orcid":false,"given":"Paul","family":"Maggard","sequence":"additional","affiliation":[{"name":"Department of Chemistry, North Carolina State University, Raleigh, NC 27695-8204, USA"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-2220-1124","authenticated-orcid":false,"given":"Myung-Hwan","family":"Whangbo","sequence":"additional","affiliation":[{"name":"State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter (FJIRSM), Chinese Academy of Sciences (CAS), Fuzhou 350002, China"},{"name":"Department of Chemistry, North Carolina State University, Raleigh, NC 27695-8204, USA"}]},{"given":"Chengkai","family":"Luan","sequence":"additional","affiliation":[{"name":"State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter (FJIRSM), Chinese Academy of Sciences (CAS), Fuzhou 350002, China"},{"name":"College of Physics and Energy, Fujian Normal University, Fuzhou 350117, China"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-5538-6738","authenticated-orcid":false,"given":"Shuiquan","family":"Deng","sequence":"additional","affiliation":[{"name":"State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter (FJIRSM), Chinese Academy of Sciences (CAS), Fuzhou 350002, China"},{"name":"Fujian Science and Technology Innovation Laboratory for Optoelectronic Information of China, Fuzhou 350108, China"}]}],"member":"1968","published-online":{"date-parts":[[2022,4,14]]},"reference":[{"key":"ref_1","unstructured":"Shen, Y.R. 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