{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,2,18]],"date-time":"2026-02-18T04:31:29Z","timestamp":1771389089068,"version":"3.50.1"},"reference-count":126,"publisher":"Royal Society of Chemistry (RSC)","issue":"22","license":[{"start":{"date-parts":[[2025,5,20]],"date-time":"2025-05-20T00:00:00Z","timestamp":1747699200000},"content-version":"vor","delay-in-days":139,"URL":"http:\/\/creativecommons.org\/licenses\/by\/3.0\/"}],"funder":[{"DOI":"10.13039\/501100002322","name":"Coordena\u00e7\u00e3o de Aperfei\u00e7oamento de Pessoal de N\u00edvel Superior","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100002322","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001871","name":"Funda\u00e7\u00e3o para a Ci\u00eancia e a Tecnologia","doi-asserted-by":"publisher","award":["UI0313B\/QUI\/2020"],"award-info":[{"award-number":["UI0313B\/QUI\/2020"]}],"id":[{"id":"10.13039\/501100001871","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001871","name":"Funda\u00e7\u00e3o para a Ci\u00eancia e a Tecnologia","doi-asserted-by":"publisher","award":["UI0313P\/QUI\/2020"],"award-info":[{"award-number":["UI0313P\/QUI\/2020"]}],"id":[{"id":"10.13039\/501100001871","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001871","name":"Funda\u00e7\u00e3o para a Ci\u00eancia e a Tecnologia","doi-asserted-by":"publisher","award":["LA\/P\/0056\/2020"],"award-info":[{"award-number":["LA\/P\/0056\/2020"]}],"id":[{"id":"10.13039\/501100001871","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["rsc.org"],"crossmark-restriction":true},"short-container-title":["Phys. Chem. Chem. Phys."],"abstract":"<jats:p>A general (3+4)-atom partitioning scheme, quasi-molecule theory or simply tiling, is briefly reviewed and used anew for rationalizing the propensity to planarity of the families of Group-XIV pentatomic dihydrides.<\/jats:p>","DOI":"10.1039\/d5cp01143d","type":"journal-article","created":{"date-parts":[[2025,5,20]],"date-time":"2025-05-20T09:50:24Z","timestamp":1747734624000},"page":"11853-11868","update-policy":"https:\/\/doi.org\/10.1039\/rsc_crossmark_policy","source":"Crossref","is-referenced-by-count":2,"title":["Tiling, propensity for planarity of the group-XIV pentatomic dihydrides XYZH<sub>2<\/sub>(X, Y, Z = C, Si, Ge), and beyond"],"prefix":"10.1039","volume":"27","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-1501-3317","authenticated-orcid":false,"given":"A. J. C.","family":"Varandas","sequence":"first","affiliation":[{"name":"School of Physics and Physical Engineering, Qufu Normal University, 273165 Qufu, China"},{"name":"Department of Physics, Universidade Federal do Esp rito Santo, 29075-910 Vit\u00f3ria, Brazil"},{"name":"Department of Chemistry, and Chemistry Centre, University of Coimbra, 3004-535 Coimbra, Portugal"}]}],"member":"292","published-online":{"date-parts":[[2025]]},"reference":[{"key":"D5CP01143D\/cit1\/1","doi-asserted-by":"crossref","first-page":"5916","DOI":"10.1021\/ja00197a061","volume":"111","author":"Malrieu","year":"1989","journal-title":"J. Am. Chem. Soc."},{"key":"D5CP01143D\/cit2\/1","doi-asserted-by":"crossref","first-page":"5303","DOI":"10.1021\/ja00252a002","volume":"109","author":"Trinquier","year":"1987","journal-title":"J. Am. Chem. Soc."},{"key":"D5CP01143D\/cit3\/1","doi-asserted-by":"crossref","first-page":"6290","DOI":"10.1021\/ja042295c","volume":"127","author":"Lein","year":"2005","journal-title":"J. Am. Chem. Soc."},{"key":"D5CP01143D\/cit4\/1","doi-asserted-by":"crossref","first-page":"393","DOI":"10.1007\/BF00531921","volume":"70","author":"Somasundram","year":"1986","journal-title":"Theor. Chim. Acta"},{"key":"D5CP01143D\/cit5\/1","doi-asserted-by":"crossref","first-page":"2401","DOI":"10.1021\/acs.jpca.9b00376","volume":"123","author":"Xu","year":"2019","journal-title":"J. Phys. Chem. A"},{"key":"D5CP01143D\/cit6\/1","doi-asserted-by":"crossref","first-page":"2021","DOI":"10.1021\/acs.jpca.0c10472","volume":"125","author":"Dunning, Jr.","year":"2021","journal-title":"J. Phys. Chem. A"},{"key":"D5CP01143D\/cit7\/1","doi-asserted-by":"crossref","first-page":"13729","DOI":"10.1021\/jacs.0c03082","volume":"142","author":"Guidez","year":"2020","journal-title":"J. Am. Chem. Soc."},{"key":"D5CP01143D\/cit8\/1","doi-asserted-by":"crossref","first-page":"9536","DOI":"10.1063\/1.480285","volume":"111","author":"Kalemos","year":"1999","journal-title":"J. Chem. Phys."},{"key":"D5CP01143D\/cit9\/1","doi-asserted-by":"crossref","first-page":"6529","DOI":"10.1063\/1.1461817","volume":"116","author":"Kalemos","year":"2002","journal-title":"J. Chem. Phys."},{"key":"D5CP01143D\/cit10\/1","doi-asserted-by":"crossref","first-page":"42","DOI":"10.1016\/j.jqsrt.2015.02.009","volume":"157","author":"Li","year":"2015","journal-title":"J. Quant. Spectrosc. Radiat. Transfer"},{"key":"D5CP01143D\/cit11\/1","doi-asserted-by":"crossref","first-page":"5251","DOI":"10.1063\/1.445713","volume":"79","author":"McKellar","year":"1983","journal-title":"J. Chem. Phys."},{"key":"D5CP01143D\/cit12\/1","doi-asserted-by":"crossref","first-page":"541","DOI":"10.1063\/1.430508","volume":"62","author":"Kasdan","year":"1975","journal-title":"J. Chem. Phys."},{"key":"D5CP01143D\/cit13\/1","doi-asserted-by":"crossref","first-page":"443","DOI":"10.1103\/PhysRev.176.443","volume":"176","author":"Jackel","year":"1968","journal-title":"Phys. Rev."},{"key":"D5CP01143D\/cit14\/1","doi-asserted-by":"crossref","first-page":"6646","DOI":"10.1021\/ja00360a016","volume":"105","author":"Lischka","year":"1983","journal-title":"J. Am. Chem. Soc."},{"key":"D5CP01143D\/cit15\/1","doi-asserted-by":"crossref","first-page":"190","DOI":"10.1016\/j.cplett.2008.02.023","volume":"454","author":"Dolgonos","year":"2008","journal-title":"Chem. Phys. Lett."},{"key":"D5CP01143D\/cit16\/1","doi-asserted-by":"crossref","first-page":"257","DOI":"10.1016\/0009-2614(90)85439-J","volume":"165","author":"Grev","year":"1990","journal-title":"Chem. Phys. Lett."},{"key":"D5CP01143D\/cit17\/1","doi-asserted-by":"crossref","first-page":"115","DOI":"10.1016\/0009-2614(86)80436-5","volume":"130","author":"Olbrich","year":"1986","journal-title":"Chem. Phys. Lett."},{"key":"D5CP01143D\/cit18\/1","doi-asserted-by":"crossref","first-page":"11409","DOI":"10.1021\/ja0300923","volume":"125","author":"Sari","year":"2003","journal-title":"J. Am. Chem. Soc."},{"key":"D5CP01143D\/cit19\/1","doi-asserted-by":"crossref","first-page":"11","DOI":"10.1016\/j.cplett.2008.10.017","volume":"466","author":"Dolgonos","year":"2008","journal-title":"Chem. Phys. Lett."},{"key":"D5CP01143D\/cit20\/1","doi-asserted-by":"crossref","first-page":"2130","DOI":"10.1021\/ja00162a014","volume":"112","author":"Trinquier","year":"1990","journal-title":"J. Am. Chem. Soc."},{"key":"D5CP01143D\/cit21\/1","doi-asserted-by":"crossref","first-page":"125","DOI":"10.1016\/S0065-3055(08)60695-4","volume":"33","author":"Grev","year":"1991","journal-title":"Adv. Organomet. Chem."},{"key":"D5CP01143D\/cit22\/1","doi-asserted-by":"crossref","first-page":"359","DOI":"10.1021\/ar300154a","volume":"46","author":"Dunning, Jr.","year":"2013","journal-title":"Acc. Chem. Res."},{"key":"D5CP01143D\/cit23\/1","doi-asserted-by":"crossref","first-page":"272","DOI":"10.1002\/anie.198402721","volume":"23","author":"Kutzelnigg","year":"1984","journal-title":"Angew. Chem., Int. Ed. Engl."},{"key":"D5CP01143D\/cit24\/1","doi-asserted-by":"crossref","first-page":"1264","DOI":"10.1021\/acs.jpclett.9b00284","volume":"10","author":"Thomas","year":"2019","journal-title":"J. Phys. Chem. Lett."},{"key":"D5CP01143D\/cit25\/1","doi-asserted-by":"crossref","first-page":"13277","DOI":"10.1021\/jp109830s","volume":"114","author":"Joseph","year":"2010","journal-title":"J. Phys. Chem. A"},{"key":"D5CP01143D\/cit26\/1","doi-asserted-by":"crossref","first-page":"16417","DOI":"10.1021\/jacs.6b10233","volume":"138","author":"Devine","year":"2016","journal-title":"J. Am. Chem. Soc."},{"key":"D5CP01143D\/cit27\/1","doi-asserted-by":"crossref","first-page":"139","DOI":"10.1016\/S0009-2614(02)00781-9","volume":"360","author":"Mebel","year":"2002","journal-title":"Chem. Phys. Lett."},{"key":"D5CP01143D\/cit28\/1","first-page":"2130031","volume":"90","author":"McCarthy","year":"2003","journal-title":"Phys. Rev. Lett."},{"key":"D5CP01143D\/cit29\/1","doi-asserted-by":"crossref","first-page":"2395","DOI":"10.1002\/jcc.24464","volume":"37","author":"Koput","year":"2016","journal-title":"J. Comput. Chem."},{"key":"D5CP01143D\/cit30\/1","doi-asserted-by":"crossref","first-page":"925","DOI":"10.1002\/(SICI)1097-461X(1998)70:4\/5<925::AID-QUA38>3.0.CO;2-X","volume":"70","author":"Boone","year":"1998","journal-title":"Int. J. Quantum Chem."},{"key":"D5CP01143D\/cit31\/1","doi-asserted-by":"crossref","first-page":"783","DOI":"10.1080\/00268976.2012.666276","volume":"110","author":"Wu","year":"2012","journal-title":"Mol. Phys."},{"key":"D5CP01143D\/cit32\/1","doi-asserted-by":"crossref","first-page":"1084","DOI":"10.1021\/ja00343a002","volume":"105","author":"Hoffmann","year":"1983","journal-title":"J. Am. Chem. Soc."},{"key":"D5CP01143D\/cit33\/1","doi-asserted-by":"crossref","first-page":"7","DOI":"10.1016\/S0166-1280(97)00220-0","volume":"424","author":"Galbraith","year":"1998","journal-title":"J. Mol. Struct.: THEOCHEM"},{"key":"D5CP01143D\/cit34\/1","doi-asserted-by":"crossref","first-page":"413","DOI":"10.1103\/PhysRevLett.66.413","volume":"66","author":"Bogey","year":"1991","journal-title":"Phys. Rev. Lett."},{"key":"D5CP01143D\/cit35\/1","doi-asserted-by":"crossref","first-page":"7984","DOI":"10.1063\/1.463421","volume":"97","author":"Cordonnier","year":"1992","journal-title":"J. Chem. Phys."},{"key":"D5CP01143D\/cit36\/1","doi-asserted-by":"crossref","first-page":"5809","DOI":"10.1021\/jp020219v","volume":"106","author":"Wang","year":"2002","journal-title":"J. Phys. Chem. A"},{"key":"D5CP01143D\/cit37\/1","doi-asserted-by":"crossref","first-page":"7990","DOI":"10.1063\/1.463422","volume":"97","author":"Grev","year":"1992","journal-title":"J. Chem. Phys."},{"key":"D5CP01143D\/cit38\/1","doi-asserted-by":"crossref","first-page":"1264","DOI":"10.1002\/anie.201611107","volume":"56","author":"Yang","year":"2017","journal-title":"Angew. Chem., Int. Ed."},{"key":"D5CP01143D\/cit39\/1","doi-asserted-by":"crossref","first-page":"8488","DOI":"10.1039\/D1CP04130D","volume":"24","author":"Varandas","year":"2022","journal-title":"Phys. Chem. Chem. Phys."},{"key":"D5CP01143D\/cit40\/1","doi-asserted-by":"crossref","first-page":"e27036","DOI":"10.1002\/qua.27036","volume":"123","author":"Varandas","year":"2023","journal-title":"Int. J. Quantum Chem."},{"key":"D5CP01143D\/cit41\/1","first-page":"e2285032","volume":"0","author":"Varandas","year":"2023","journal-title":"Mol. Phys."},{"key":"D5CP01143D\/cit42\/1","doi-asserted-by":"crossref","first-page":"5048","DOI":"10.1021\/acs.jpca.3c01820","volume":"127","author":"Varandas","year":"2023","journal-title":"J. Phys. Chem. A"},{"key":"D5CP01143D\/cit43\/1","doi-asserted-by":"crossref","first-page":"140836","DOI":"10.1016\/j.cplett.2023.140836","author":"Varandas","year":"2023","journal-title":"Chem. Phys. Lett."},{"key":"D5CP01143D\/cit44\/1","doi-asserted-by":"crossref","first-page":"e27287","DOI":"10.1002\/qua.27287","volume":"124","author":"Varandas","year":"2024","journal-title":"Int. J. Quantum Chem."},{"key":"D5CP01143D\/cit45\/1","unstructured":"NIST: Atomic Spectra Database \u2013 Energy Levels Form ,  https:\/\/physics.nist.gov\/PhysRefData\/ASD\/levels_form.html  (accessed at March 25, 2025)"},{"key":"D5CP01143D\/cit46\/1","doi-asserted-by":"crossref","first-page":"5541","DOI":"10.1021\/jp020310z","volume":"106","author":"Clary","year":"2002","journal-title":"J. Phys. Chem. A"},{"key":"D5CP01143D\/cit47\/1","doi-asserted-by":"crossref","first-page":"479","DOI":"10.1016\/S0009-2614(89)87395-6","volume":"157","author":"Raghavachari","year":"1989","journal-title":"Chem. Phys. Lett."},{"key":"D5CP01143D\/cit48\/1","volume-title":"Molecular Potential Energy Functions","author":"Murrell","year":"1984","unstructured":"J. N.Murrell ,  S.Carter ,  S. C.Farantos ,  P.Huxley  and  A. J. C.Varandas ,  Molecular Potential Energy Functions ,  Wiley ,  Chichester ,  1984"},{"key":"D5CP01143D\/cit49\/1","doi-asserted-by":"crossref","first-page":"1387","DOI":"10.1080\/00268977500101221","volume":"29","author":"Sorbie","year":"1975","journal-title":"Mol. Phys."},{"key":"D5CP01143D\/cit50\/1","first-page":"255","volume":"74","author":"Varandas","year":"1988","journal-title":"Adv. Chem. Phys."},{"key":"D5CP01143D\/cit51\/1","doi-asserted-by":"crossref","first-page":"1303","DOI":"10.1080\/00268978400103021","volume":"53","author":"Varandas","year":"1984","journal-title":"Mol. Phys."},{"key":"D5CP01143D\/cit52\/1","doi-asserted-by":"crossref","first-page":"054120","DOI":"10.1063\/1.4788912","volume":"138","author":"Varandas","year":"2013","journal-title":"J. Chem. Phys."},{"key":"D5CP01143D\/cit53\/1","doi-asserted-by":"crossref","first-page":"134117","DOI":"10.1063\/1.4795826","volume":"138","author":"Varandas","year":"2013","journal-title":"J. Chem. Phys."},{"key":"D5CP01143D\/cit54\/1","doi-asserted-by":"crossref","first-page":"408","DOI":"10.1039\/9781849737753-00408","volume-title":"Reaction Rate Constant Computations: Theories and Applications","author":"Varandas","year":"2013","unstructured":"A. J. C.Varandas , in  Reaction Rate Constant Computations: Theories and Applications , ed.  K.-L. Han  and  T. S. Chu , Theoretical and Computational Chemistry Series,  Royal Society of Chemistry ,  Cambridge ,  2013 ,  pp. 408\u2013445"},{"key":"D5CP01143D\/cit55\/1","doi-asserted-by":"crossref","first-page":"301","DOI":"10.1002\/andp.18290910217","volume":"15","author":"Dobereiner","year":"1829","journal-title":"Ann. Phys. Chem."},{"key":"D5CP01143D\/cit56\/1","doi-asserted-by":"crossref","first-page":"69","DOI":"10.1007\/s10698-010-9082-9","volume":"12","author":"Scerri","year":"2010","journal-title":"Found. Chem."},{"key":"D5CP01143D\/cit57\/1","doi-asserted-by":"crossref","first-page":"2655","DOI":"10.1021\/jp910269w","volume":"114","author":"Joseph","year":"2010","journal-title":"J. Phys. Chem. A"},{"key":"D5CP01143D\/cit58\/1","doi-asserted-by":"crossref","first-page":"134","DOI":"10.1140\/epjd\/e2018-90145-4","volume":"72","author":"Varandas","year":"2018","journal-title":"Eur. Phys. J. D"},{"key":"D5CP01143D\/cit59\/1","doi-asserted-by":"crossref","first-page":"24406","DOI":"10.1039\/C9CP04890A","volume":"21","author":"Rocha","year":"2019","journal-title":"Phys. Chem. Chem. Phys."},{"key":"D5CP01143D\/cit60\/1","doi-asserted-by":"crossref","first-page":"191","DOI":"10.1080\/00268978000102681","volume":"41","author":"Carter","year":"1980","journal-title":"Mol. Phys."},{"key":"D5CP01143D\/cit61\/1","volume-title":"Dictionary of Organic Compounds","author":"Buckingham","year":"1997","unstructured":"J.Buckingham  and  F.Macdonald ,  Dictionary of Organic Compounds ,  Chapman & Hall ,  London , 6th edn,  1997 , Supplement 1, vol. 10"},{"key":"D5CP01143D\/cit62\/1","doi-asserted-by":"crossref","first-page":"4070","DOI":"10.1063\/1.475839","volume":"108","author":"Choi","year":"1998","journal-title":"J. Chem. Phys."},{"key":"D5CP01143D\/cit63\/1","doi-asserted-by":"crossref","first-page":"10041","DOI":"10.1063\/1.1806820","volume":"121","author":"Ahmed","year":"2004","journal-title":"J. Chem. Phys."},{"key":"D5CP01143D\/cit64\/1","doi-asserted-by":"crossref","first-page":"10319","DOI":"10.1039\/C7CP06656B","volume":"20","author":"Rocha","year":"2018","journal-title":"Phys. Chem. Chem. Phys."},{"key":"D5CP01143D\/cit65\/1","doi-asserted-by":"crossref","first-page":"8154","DOI":"10.1021\/acs.jpca.9b03194","volume":"123","author":"Rocha","year":"2019","journal-title":"J. Phys. Chem. A"},{"key":"D5CP01143D\/cit66\/1","doi-asserted-by":"crossref","first-page":"566","DOI":"10.1002\/anie.198805661","volume":"27","author":"Maier","year":"1988","journal-title":"Angew. Chem., Int. Ed. Engl."},{"key":"D5CP01143D\/cit67\/1","doi-asserted-by":"crossref","first-page":"L30","DOI":"10.3847\/2041-8205\/818\/2\/L30","volume":"818","author":"F\u00f6rstel","year":"2016","journal-title":"Astrophys. J."},{"key":"D5CP01143D\/cit68\/1","first-page":"269","volume":"220","author":"Adams","year":"1989","journal-title":"Astron. Astrophys."},{"key":"D5CP01143D\/cit69\/1","doi-asserted-by":"crossref","first-page":"905","DOI":"10.1002\/anie.199009051","volume":"29","author":"Maier","year":"1990","journal-title":"Angew. Chem., Int. Ed. Engl."},{"key":"D5CP01143D\/cit70\/1","doi-asserted-by":"crossref","first-page":"1572","DOI":"10.1021\/jo962054q","volume":"62","author":"Krishnamurthy","year":"1997","journal-title":"J. Org. Chem."},{"key":"D5CP01143D\/cit71\/1","doi-asserted-by":"crossref","first-page":"1468","DOI":"10.1021\/acs.accounts.7b00164","volume":"50","author":"Wendinger","year":"2017","journal-title":"Acc. Chem. Res."},{"key":"D5CP01143D\/cit72\/1","doi-asserted-by":"crossref","first-page":"146","DOI":"10.1021\/jp076805b","volume":"112","author":"Yang","year":"2008","journal-title":"J. Phys. Chem. A"},{"key":"D5CP01143D\/cit73\/1","doi-asserted-by":"crossref","first-page":"30","DOI":"10.1016\/j.theochem.2008.10.022","volume":"895","author":"Xu","year":"2009","journal-title":"J. Mol. Struct.: THEOCHEM"},{"key":"D5CP01143D\/cit74\/1","doi-asserted-by":"crossref","first-page":"3250","DOI":"10.1021\/om0302591","volume":"22","author":"Apeloig","year":"2003","journal-title":"Organometallics"},{"key":"D5CP01143D\/cit75\/1","doi-asserted-by":"crossref","first-page":"1648","DOI":"10.1063\/1.436740","volume":"69","author":"Wetmore","year":"1978","journal-title":"J. Chem. Phys."},{"key":"D5CP01143D\/cit76\/1","doi-asserted-by":"crossref","first-page":"7008","DOI":"10.1063\/1.481299","volume":"112","author":"Le","year":"2000","journal-title":"J. Chem. Phys."},{"key":"D5CP01143D\/cit77\/1","doi-asserted-by":"crossref","first-page":"145","DOI":"10.1021\/cr00017a008","volume":"93","author":"Becker","year":"1993","journal-title":"Chem. Rev."},{"key":"D5CP01143D\/cit78\/1","doi-asserted-by":"crossref","first-page":"43","DOI":"10.1039\/a801821i","volume":"29","author":"Bouas-Laurent","year":"2000","journal-title":"Chem. Soc. Rev."},{"key":"D5CP01143D\/cit79\/1","doi-asserted-by":"crossref","first-page":"7106","DOI":"10.1021\/ja00754a081","volume":"93","author":"Dekock","year":"1971","journal-title":"J. Am. Chem. Soc."},{"key":"D5CP01143D\/cit80\/1","doi-asserted-by":"crossref","first-page":"125","DOI":"10.1038\/310125a0","volume":"310","author":"Matthews","year":"1984","journal-title":"Nature"},{"key":"D5CP01143D\/cit81\/1","doi-asserted-by":"crossref","first-page":"3578","DOI":"10.1039\/b718817j","volume":"10","author":"Gicquel","year":"2008","journal-title":"Phys. Chem. Chem. Phys."},{"key":"D5CP01143D\/cit82\/1","doi-asserted-by":"crossref","first-page":"4787","DOI":"10.1021\/cr050545h","volume":"106","author":"Keese","year":"2006","journal-title":"Chem. Rev."},{"key":"D5CP01143D\/cit83\/1","doi-asserted-by":"crossref","first-page":"5419","DOI":"10.1021\/ja00434a001","volume":"98","author":"Collins","year":"1976","journal-title":"J. Am. Chem. Soc."},{"key":"D5CP01143D\/cit84\/1","doi-asserted-by":"crossref","first-page":"2465","DOI":"10.1126\/science.1060000","volume":"292","author":"Wang","year":"2001","journal-title":"Science"},{"key":"D5CP01143D\/cit85\/1","doi-asserted-by":"crossref","first-page":"14056","DOI":"10.1002\/chem.201602538","volume":"22","author":"Torrent-Sucarrat","year":"2016","journal-title":"Chem. \u2013 Eur. J."},{"key":"D5CP01143D\/cit86\/1","first-page":"26583","author":"Quattrociocchi","year":"2020","journal-title":"Int. J. Quantum Chem."},{"key":"D5CP01143D\/cit87\/1","doi-asserted-by":"crossref","first-page":"1777","DOI":"10.1063\/1.1378041","volume":"115","author":"Sch\u00e4fer-Bung","year":"2001","journal-title":"J. Chem. Phys."},{"key":"D5CP01143D\/cit88\/1","doi-asserted-by":"crossref","first-page":"5935","DOI":"10.1063\/1.458363","volume":"92","author":"Snodgrass","year":"1990","journal-title":"J. Chem. Phys."},{"key":"D5CP01143D\/cit89\/1","doi-asserted-by":"crossref","first-page":"12125","DOI":"10.1021\/jp8070663","volume":"112","author":"Zhao","year":"2008","journal-title":"J. Phys. Chem. A"},{"key":"D5CP01143D\/cit90\/1","doi-asserted-by":"crossref","first-page":"4323","DOI":"10.1063\/1.1496473","volume":"117","author":"Nimlos","year":"2002","journal-title":"J. Chem. Phys."},{"key":"D5CP01143D\/cit91\/1","doi-asserted-by":"crossref","first-page":"5648","DOI":"10.1063\/1.464913","volume":"98","author":"Becke","year":"1993","journal-title":"J. Chem. Phys."},{"key":"D5CP01143D\/cit92\/1","doi-asserted-by":"crossref","first-page":"154104","DOI":"10.1063\/1.3382344","volume":"132","author":"Grimme","year":"2010","journal-title":"J. Chem. Phys."},{"key":"D5CP01143D\/cit93\/1","doi-asserted-by":"crossref","first-page":"215","DOI":"10.1007\/s00214-007-0310-x","volume":"120","author":"Zhao","year":"2008","journal-title":"Theor. Chem. Acc."},{"key":"D5CP01143D\/cit94\/1","doi-asserted-by":"crossref","first-page":"1535","DOI":"10.1039\/p19960001535","author":"Adamson","year":"1996","journal-title":"J. Chem. Soc., Perkin Trans. 1"},{"key":"D5CP01143D\/cit95\/1","doi-asserted-by":"crossref","first-page":"114301","DOI":"10.1063\/1.2838200","volume":"128","author":"Arulmozhiraja","year":"2008","journal-title":"J. Chem. Phys."},{"key":"D5CP01143D\/cit96\/1","doi-asserted-by":"crossref","first-page":"1299","DOI":"10.1126\/science.aay1914","volume":"365","author":"Kaiser","year":"2019","journal-title":"Science"},{"key":"D5CP01143D\/cit97\/1","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1142\/p784","volume-title":"Structure and properties of atomic nanoclusters","author":"Alonso","year":"2011","unstructured":"J. A.Alonso ,  Structure and properties of atomic nanoclusters ,  Imperial College Press , 2nd edn,  2011 ,  pp. 1\u2013475"},{"key":"D5CP01143D\/cit98\/1","doi-asserted-by":"crossref","first-page":"9652","DOI":"10.1063\/1.477632","volume":"109","author":"Ott","year":"1998","journal-title":"J. Chem. Phys."},{"key":"D5CP01143D\/cit99\/1","doi-asserted-by":"crossref","first-page":"3029","DOI":"10.1021\/jp003615r","volume":"105","author":"Rechtsteiner","year":"2001","journal-title":"J. Phys. Chem. A"},{"key":"D5CP01143D\/cit100\/1","doi-asserted-by":"crossref","first-page":"034305","DOI":"10.1063\/1.1961564","volume":"123","author":"Boguslavskiy","year":"2005","journal-title":"J. Chem. Phys."},{"key":"D5CP01143D\/cit101\/1","first-page":"242","volume":"2","author":"Werner","year":"2020","journal-title":"MOLPRO"},{"key":"D5CP01143D\/cit102\/1","doi-asserted-by":"crossref","first-page":"1007","DOI":"10.1063\/1.456153","volume":"90","author":"Dunning, Jr.","year":"1989","journal-title":"J. Chem. Phys."},{"key":"D5CP01143D\/cit103\/1","first-page":"88","volume-title":"Encycl. Comput. Chem.","author":"Dunning, Jr.","year":"1998","unstructured":"T. H.Dunning, Jr. ,  K. A.Peterson  and  D. E.Woon ,  Encycl. Comput. Chem. ,  Wiley ,  Chichester ,  1998 ,  p. 88"},{"key":"D5CP01143D\/cit104\/1","doi-asserted-by":"crossref","first-page":"6796","DOI":"10.1063\/1.462569","volume":"96","author":"Kendall","year":"1992","journal-title":"J. Chem. Phys."},{"key":"D5CP01143D\/cit105\/1","doi-asserted-by":"crossref","first-page":"9062","DOI":"10.1021\/jp001507z","volume":"104","author":"Dunning, Jr.","year":"2000","journal-title":"J. Phys. Chem. A"},{"key":"D5CP01143D\/cit106\/1","doi-asserted-by":"crossref","first-page":"2975","DOI":"10.1063\/1.466439","volume":"100","author":"Woon","year":"1994","journal-title":"J. Chem. Phys."},{"key":"D5CP01143D\/cit107\/1","doi-asserted-by":"crossref","first-page":"84102","DOI":"10.1063\/1.2831537","volume":"128","author":"Peterson","year":"2008","journal-title":"J. Chem. Phys."},{"key":"D5CP01143D\/cit108\/1","doi-asserted-by":"crossref","first-page":"054104","DOI":"10.1063\/1.3054300","volume":"130","author":"Knizia","year":"2009","journal-title":"J. Chem. Phys."},{"key":"D5CP01143D\/cit109\/1","doi-asserted-by":"crossref","first-page":"493","DOI":"10.1524\/zpch.2010.6120","volume":"224","author":"Werner","year":"2010","journal-title":"Z. Physiol. Chem."},{"key":"D5CP01143D\/cit110\/1","doi-asserted-by":"crossref","first-page":"12447","DOI":"10.1021\/jp9029908","volume":"113","author":"V\u00e1zquez","year":"2009","journal-title":"J. Phys. Chem. A"},{"key":"D5CP01143D\/cit111\/1","doi-asserted-by":"crossref","first-page":"121","DOI":"10.1016\/0166-1280(94)04035-Q","volume":"334","author":"Ernst","year":"1995","journal-title":"J. Mol. Struct.: THEOCHEM"},{"key":"D5CP01143D\/cit112\/1","doi-asserted-by":"crossref","first-page":"205","DOI":"10.3847\/1538-3881\/abb679","volume":"160","author":"Nixon","year":"2020","journal-title":"Astron. J."},{"key":"D5CP01143D\/cit113\/1","doi-asserted-by":"crossref","first-page":"4075","DOI":"10.1093\/mnras\/stx1265","volume":"470","author":"Loison","year":"2017","journal-title":"Mon. Not. R. Astron. Soc."},{"key":"D5CP01143D\/cit114\/1","doi-asserted-by":"crossref","first-page":"11071","DOI":"10.1063\/1.1740747","volume":"120","author":"Ikuta","year":"2004","journal-title":"J. Chem. Phys."},{"key":"D5CP01143D\/cit115\/1","doi-asserted-by":"crossref","first-page":"969","DOI":"10.1116\/1.582718","author":"Ehrlich","year":"1983","journal-title":"J. Vac. Sci. Technol., B: Microelectron. Nanometer Struct.\u2013Process., Meas., Phenom."},{"key":"D5CP01143D\/cit116\/1","doi-asserted-by":"crossref","first-page":"283","DOI":"10.1021\/cr00099a010","volume":"90","author":"Barrau","year":"1990","journal-title":"Chem. Rev."},{"key":"D5CP01143D\/cit117\/1","doi-asserted-by":"crossref","first-page":"271","DOI":"10.1016\/0022-328X(92)85074-7","volume":"437","author":"Pola","year":"1992","journal-title":"J. Organomet. Chem."},{"key":"D5CP01143D\/cit118\/1","volume-title":"Probing the gas-phase ion chemistry of simple Ge systems","author":"Riveros","year":"2002","unstructured":"J. M.Riveros ,  Probing the gas-phase ion chemistry of simple Ge systems ,  2002"},{"key":"D5CP01143D\/cit119\/1","doi-asserted-by":"crossref","first-page":"1642","DOI":"10.1002\/jcc.10397","volume":"23","author":"Li","year":"2002","journal-title":"J. Comput. Chem."},{"key":"D5CP01143D\/cit120\/1","doi-asserted-by":"crossref","first-page":"9429","DOI":"10.1021\/jp0614603","volume":"110","author":"Antoniotti","year":"2006","journal-title":"J. Phys. Chem. A"},{"key":"D5CP01143D\/cit121\/1","doi-asserted-by":"crossref","first-page":"413","DOI":"10.1016\/S0009-2614(97)00398-9","volume":"270","author":"Deutsch","year":"1997","journal-title":"Chem. Phys. Lett."},{"key":"D5CP01143D\/cit122\/1","doi-asserted-by":"crossref","first-page":"101","DOI":"10.1016\/S0009-2614(01)00734-5","volume":"344","author":"Deutsch","year":"2001","journal-title":"Chem. Phys. Lett."},{"key":"D5CP01143D\/cit123\/1","doi-asserted-by":"crossref","first-page":"177","DOI":"10.1146\/annurev-physchem-050317-021148","volume":"69","author":"Varandas","year":"2018","journal-title":"Annu. Rev. Phys. Chem."},{"key":"D5CP01143D\/cit124\/1","doi-asserted-by":"crossref","first-page":"74303","DOI":"10.1063\/1.2168150","volume":"124","author":"Mccarthy","year":"2006","journal-title":"J. Chem. Phys."},{"key":"D5CP01143D\/cit125\/1","doi-asserted-by":"crossref","first-page":"275","DOI":"10.1016\/j.chemphys.2006.08.022","volume":"330","author":"Carrier","year":"2006","journal-title":"Chem. Phys."},{"key":"D5CP01143D\/cit126\/1","doi-asserted-by":"crossref","first-page":"114309","DOI":"10.1063\/5.0252880","volume":"162","author":"Mondal","year":"2025","journal-title":"J. Chem. Phys."}],"container-title":["Physical Chemistry Chemical Physics"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/pubs.rsc.org\/en\/content\/articlepdf\/2025\/CP\/D5CP01143D","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,6,5]],"date-time":"2025-06-05T08:35:29Z","timestamp":1749112529000},"score":1,"resource":{"primary":{"URL":"https:\/\/xlink.rsc.org\/?DOI=D5CP01143D"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2025]]},"references-count":126,"journal-issue":{"issue":"22","published-print":{"date-parts":[[2025,6,5]]}},"URL":"https:\/\/doi.org\/10.1039\/d5cp01143d","relation":{},"ISSN":["1463-9076","1463-9084"],"issn-type":[{"value":"1463-9076","type":"print"},{"value":"1463-9084","type":"electronic"}],"subject":[],"published":{"date-parts":[[2025]]}}}