{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,1]],"date-time":"2026-10-01T09:56:27Z","timestamp":1790848587846,"version":"4.1.0"},"reference-count":87,"publisher":"Royal Society of Chemistry (RSC)","issue":"37","license":[{"start":{"date-parts":[[2026,8,13]],"date-time":"2026-08-13T00:00:00Z","timestamp":1786579200000},"content-version":"vor","delay-in-days":224,"URL":"http:\/\/creativecommons.org\/licenses\/by\/3.0\/"}],"funder":[{"DOI":"10.13039\/501100001659","name":"Deutsche Forschungsgemeinschaft","doi-asserted-by":"publisher","award":["TRR 386 \u2013 B1 (514664767)"],"award-info":[{"award-number":["TRR 386 \u2013 B1 (514664767)"]}],"id":[{"id":"10.13039\/501100001659","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001659","name":"Deutsche Forschungsgemeinschaft","doi-asserted-by":"publisher","award":["448298270"],"award-info":[{"award-number":["448298270"]}],"id":[{"id":"10.13039\/501100001659","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100014913","name":"Freistaat Sachsen","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100014913","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["rsc.org"],"crossmark-restriction":true},"short-container-title":["Phys. Chem. Chem. Phys."],"abstract":"<jats:p>This work presents a benchmark set of spectroscopic, structural, and theoretical data for non-linear NH\u22efS hydrogen bonds incorporated in a macrocyclic scaffold in solid as well as solution state.<\/jats:p>","DOI":"10.1039\/d6cp00888g","type":"journal-article","created":{"date-parts":[[2026,8,13]],"date-time":"2026-08-13T17:23:36Z","timestamp":1786641816000},"page":"22636-22646","update-policy":"https:\/\/doi.org\/10.1039\/rsc_crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Macrocyclic zinc complexes for stabilisation of non-linear NH\u22efS bonds in solution and solid state"],"prefix":"10.1039","volume":"28","author":[{"ORCID":"https:\/\/orcid.org\/0009-0004-5461-1357","authenticated-orcid":false,"given":"Vanessa","family":"Stephan","sequence":"first","affiliation":[{"name":"Institute for Inorganic Chemistry and Crystallography, Leipzig University, Johannisallee 29, 04103 Leipzig, Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0007-6069-3434","authenticated-orcid":false,"given":"Christian","family":"Zocher","sequence":"additional","affiliation":[{"name":"Institute for Inorganic Chemistry and Crystallography, Leipzig University, Johannisallee 29, 04103 Leipzig, Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6599-3558","authenticated-orcid":false,"given":"Maik","family":"Icker","sequence":"additional","affiliation":[{"name":"Institute of Organic Chemistry, Leipzig University, Linn\u00e9stra\u00dfe 3, 04103 Leipzig, Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3229-2514","authenticated-orcid":false,"given":"Martin","family":"B\u00f6rner","sequence":"additional","affiliation":[{"name":"Institute for Inorganic Chemistry and Crystallography, Leipzig University, Johannisallee 29, 04103 Leipzig, Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-5386-2809","authenticated-orcid":false,"given":"Berthold","family":"Kersting","sequence":"additional","affiliation":[{"name":"Institute for Inorganic Chemistry and Crystallography, Leipzig University, Johannisallee 29, 04103 Leipzig, Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"292","published-online":{"date-parts":[[2026]]},"reference":[{"key":"D6CP00888G\/cit1\/1","doi-asserted-by":"crossref","first-page":"1580","DOI":"10.1021\/acs.accounts.0c00289","volume":"53","author":"Chand","year":"2020","journal-title":"Acc. Chem. Res."},{"key":"D6CP00888G\/cit2\/1","doi-asserted-by":"crossref","first-page":"18576","DOI":"10.1021\/jacs.4c18276","volume":"147","author":"Pinacho","year":"2025","journal-title":"J. Am. Chem. Soc."},{"key":"D6CP00888G\/cit3\/1","doi-asserted-by":"crossref","first-page":"14884","DOI":"10.1039\/C7CP02518A","volume":"19","author":"Legon","year":"2017","journal-title":"Phys. Chem. Chem. Phys."},{"key":"D6CP00888G\/cit4\/1","doi-asserted-by":"crossref","first-page":"224302","DOI":"10.1063\/5.0208086","volume":"160","author":"Metya","year":"2024","journal-title":"J. Chem. Phys."},{"key":"D6CP00888G\/cit5\/1","doi-asserted-by":"crossref","first-page":"044302","DOI":"10.1063\/5.0180901","volume":"160","author":"Silva","year":"2024","journal-title":"J. Chem. Phys."},{"key":"D6CP00888G\/cit6\/1","doi-asserted-by":"crossref","first-page":"5838","DOI":"10.1002\/anie.202014364","volume":"60","author":"Li","year":"2021","journal-title":"Angew. Chem."},{"key":"D6CP00888G\/cit7\/1","doi-asserted-by":"crossref","first-page":"1228","DOI":"10.1021\/acs.jpclett.0c03183","volume":"12","author":"Mishra","year":"2021","journal-title":"J. Phys. Chem. Lett."},{"key":"D6CP00888G\/cit8\/1","doi-asserted-by":"crossref","first-page":"15199","DOI":"10.1002\/anie.201808162","volume":"57","author":"Das","year":"2018","journal-title":"Angew. Chem., Int. Ed."},{"key":"D6CP00888G\/cit9\/1","doi-asserted-by":"crossref","first-page":"6703","DOI":"10.1021\/acs.jpca.4c04025","volume":"128","author":"Monu","year":"2024","journal-title":"J. Phys. Chem. A"},{"key":"D6CP00888G\/cit10\/1","doi-asserted-by":"crossref","first-page":"58217","DOI":"10.1039\/C4RA09430A","volume":"4","author":"Ibarg\u00fcen","year":"2014","journal-title":"RSC Adv."},{"key":"D6CP00888G\/cit11\/1","doi-asserted-by":"crossref","first-page":"905","DOI":"10.1002\/cphc.201201012","volume":"14","author":"Bhattacherjee","year":"2013","journal-title":"Chem. Phys. Chem."},{"key":"D6CP00888G\/cit12\/1","doi-asserted-by":"crossref","first-page":"6564","DOI":"10.1002\/chem.201705727","volume":"24","author":"Juanes","year":"2018","journal-title":"Alcohol, Chem. Eur. J."},{"key":"D6CP00888G\/cit13\/1","doi-asserted-by":"crossref","first-page":"9540","DOI":"10.1038\/s41467-024-53444-6","volume":"15","author":"J\u00e4ger","year":"2024","journal-title":"Nat. Commun."},{"key":"D6CP00888G\/cit14\/1","doi-asserted-by":"crossref","first-page":"319","DOI":"10.1016\/S0301-0104(02)00833-9","volume":"285","author":"Tsujii","year":"2002","journal-title":"Chem. Phys."},{"key":"D6CP00888G\/cit15\/1","doi-asserted-by":"crossref","first-page":"214306","DOI":"10.1063\/5.0008929","volume":"152","author":"Perkins","year":"2020","journal-title":"J. Chem. Phys."},{"key":"D6CP00888G\/cit16\/1","doi-asserted-by":"crossref","first-page":"4113","DOI":"10.1039\/b806165c","volume":"10","author":"Howard","year":"2008","journal-title":"Phys. Chem. Chem. Phys."},{"issue":"11","key":"D6CP00888G\/cit17\/1","doi-asserted-by":"crossref","first-page":"2726","DOI":"10.1021\/ja952871s","volume":"118","author":"Platts","year":"1996","journal-title":"J. Am. Chem. Soc."},{"issue":"8","key":"D6CP00888G\/cit18\/1","doi-asserted-by":"crossref","first-page":"1385","DOI":"10.1021\/acs.jpclett.5b00491","volume":"6","author":"Mundlapati","year":"2015","journal-title":"J. Phys. Chem. Lett."},{"key":"D6CP00888G\/cit19\/1","doi-asserted-by":"crossref","first-page":"99","DOI":"10.1002\/prot.340090204","volume":"9","author":"Gregoret","year":"1991","journal-title":"Proteins: Struct., Funct., Bioinf."},{"key":"D6CP00888G\/cit20a\/1","doi-asserted-by":"crossref","DOI":"10.1093\/acprof:oso\/9780198509707.001.0001","volume-title":"The Weak Hydrogen Bond in Structural Chemistry and Biology","author":"Desiraju","year":"2001","unstructured":"G. R.Desiraju  and  T.Steiner ,  The Weak Hydrogen Bond in Structural Chemistry and Biology ,  Oxford University Press ,  Oxford ,  2001"},{"key":"D6CP00888G\/cit20b\/1","doi-asserted-by":"crossref","first-page":"565","DOI":"10.1021\/ar010054t","volume":"35","author":"Desiraju","year":"2002","journal-title":"Acc. Chem. Res."},{"key":"D6CP00888G\/cit21\/1","first-page":"151","volume":"76","author":"Zhou","year":"2009","journal-title":"Bioinform"},{"key":"D6CP00888G\/cit22\/1","doi-asserted-by":"crossref","first-page":"11","DOI":"10.1039\/D2OB01602H","volume":"21","author":"Kojasoy","year":"2023","journal-title":"Org. Biomol. Chem."},{"key":"D6CP00888G\/cit23\/1","doi-asserted-by":"crossref","first-page":"2393","DOI":"10.1002\/ejic.201000169","author":"Hahn","year":"2010","journal-title":"Eur. J. Inorg. Chem."},{"key":"D6CP00888G\/cit24\/1","doi-asserted-by":"crossref","first-page":"14039","DOI":"10.1021\/ja0536670","volume":"127","author":"Morlok","year":"2005","journal-title":"J. Am. Chem. Soc."},{"key":"D6CP00888G\/cit25\/1","doi-asserted-by":"crossref","first-page":"530","DOI":"10.1039\/D2CE00961G","volume":"25","author":"Renier","year":"2023","journal-title":"CrystEngComm"},{"key":"D6CP00888G\/cit26\/1","doi-asserted-by":"crossref","first-page":"2187","DOI":"10.1021\/acs.joc.7b00160","volume":"82","author":"Okamura","year":"2017","journal-title":"J. Org. Chem."},{"key":"D6CP00888G\/cit27\/1","doi-asserted-by":"crossref","first-page":"2898","DOI":"10.1021\/ct900328c","volume":"5","author":"G\u00e1miz-Hern\u00e1ndez","year":"2009","journal-title":"J. Chem. Theory Comput."},{"key":"D6CP00888G\/cit28\/1","doi-asserted-by":"crossref","first-page":"617","DOI":"10.1007\/s00775-006-0109-6","volume":"11","author":"Mullins","year":"2006","journal-title":"J. Biol. Inorg. Chem."},{"key":"D6CP00888G\/cit29\/1","doi-asserted-by":"crossref","first-page":"7569","DOI":"10.1039\/c3dt50139f","volume":"42","author":"Okamura","year":"2013","journal-title":"Dalton Trans."},{"key":"D6CP00888G\/cit30\/1","doi-asserted-by":"crossref","first-page":"9885","DOI":"10.1021\/jacs.9b02765","volume":"141","author":"Liu","year":"2019","journal-title":"J. Am. Chem. Soc."},{"key":"D6CP00888G\/cit31a\/1","volume-title":"Crystal Engineering: The Design of Organic Solids","author":"Desiraju","year":"1989","unstructured":"G. R.Desiraju ,  Crystal Engineering: The Design of Organic Solids ,  Elsevier Science Publishers B.V. ,  Amsterdam ,  1989"},{"key":"D6CP00888G\/cit31b\/1","doi-asserted-by":"crossref","first-page":"2526","DOI":"10.1039\/B407319C","author":"Jetti","year":"2004","journal-title":"Chem. Commun."},{"key":"D6CP00888G\/cit32\/1","doi-asserted-by":"crossref","first-page":"5881","DOI":"10.1021\/cg501103c","volume":"14","author":"Dey","year":"2014","journal-title":"Cryst. Growth Des."},{"key":"D6CP00888G\/cit33\/1","doi-asserted-by":"crossref","first-page":"4326","DOI":"10.1002\/slct.201601043","volume":"1","author":"Gagrai","year":"2016","journal-title":"ChemistrySelect"},{"key":"D6CP00888G\/cit34\/1","doi-asserted-by":"crossref","first-page":"2726","DOI":"10.1021\/ja952871s","volume":"118","author":"Platts","year":"1996","journal-title":"J. Am. Chem. Soc."},{"key":"D6CP00888G\/cit35\/1","doi-asserted-by":"crossref","first-page":"1611","DOI":"10.1246\/bcsj.75.1611","volume":"75","author":"Iwaoka","year":"2002","journal-title":"Bull. Chem. Soc. Jpn."},{"key":"D6CP00888G\/cit36\/1","doi-asserted-by":"crossref","first-page":"48","DOI":"10.1002\/1521-3773(20020104)41:1<48::AID-ANIE48>3.0.CO;2-U","volume":"41","author":"Steiner","year":"2002","journal-title":"Angew. Chem., Int. Ed."},{"key":"D6CP00888G\/cit37\/1","volume-title":"An introduction to hydrogen bonding","author":"Jeffrey","year":"1997","unstructured":"G. A.Jeffrey ,  An introduction to hydrogen bonding ,  Oxford University press ,  New York ,  1997"},{"key":"D6CP00888G\/cit38\/1","doi-asserted-by":"crossref","first-page":"31","DOI":"10.1016\/j.cplett.2012.02.064","volume":"532","author":"Adhikari","year":"2012","journal-title":"Chem. Phys. Lett."},{"key":"D6CP00888G\/cit39\/1","doi-asserted-by":"crossref","first-page":"12743","DOI":"10.1021\/ja0011717","volume":"122","author":"Fran\u00e7ois","year":"2001","journal-title":"J. Am. Chem. Soc."},{"key":"D6CP00888G\/cit40\/1","doi-asserted-by":"crossref","first-page":"12826","DOI":"10.1021\/ja9622970","volume":"118","author":"Ueyama","year":"1996","journal-title":"J. Am. Chem. Soc."},{"key":"D6CP00888G\/cit41\/1","doi-asserted-by":"crossref","first-page":"868","DOI":"10.1021\/jo701984z","volume":"73","author":"Bonnot","year":"2008","journal-title":"J. Org. Chem."},{"key":"D6CP00888G\/cit42\/1","doi-asserted-by":"crossref","first-page":"291","DOI":"10.1021\/cg015505v","volume":"1","author":"Krepps","year":"2001","journal-title":"Cryst. Growth Des."},{"key":"D6CP00888G\/cit43a\/1","doi-asserted-by":"crossref","first-page":"e202104255","DOI":"10.1002\/chem.202104255","volume":"28","author":"Schleife","year":"2022","journal-title":"Chem. \u2013 Eur. J."},{"key":"D6CP00888G\/cit43b\/1","doi-asserted-by":"crossref","first-page":"14899","DOI":"10.1002\/chem.202102079","volume":"27","author":"B\u00f6rner","year":"2021","journal-title":"Chem. \u2013 Eur. J."},{"key":"D6CP00888G\/cit44\/1","doi-asserted-by":"crossref","first-page":"2244","DOI":"10.1016\/j.ccr.2008.08.016","volume":"253","author":"Lozan","year":"2009","journal-title":"Coord. Chem. Rev."},{"key":"D6CP00888G\/cit45\/1","doi-asserted-by":"crossref","first-page":"3812","DOI":"10.1039\/B603740B","author":"Fritz","year":"2006","journal-title":"Dalton Trans."},{"key":"D6CP00888G\/cit46\/1","doi-asserted-by":"crossref","first-page":"1543","DOI":"10.1002\/zaac.201300074","volume":"639","author":"Lehmann","year":"2013","journal-title":"Z. Anorg. Allg. Chem."},{"key":"D6CP00888G\/cit47\/1","doi-asserted-by":"crossref","first-page":"231","DOI":"10.1016\/0022-2836(69)90102-8","volume":"45","author":"Donohue","year":"1969","journal-title":"J. Mol. Biol."},{"key":"D6CP00888G\/cit48\/1","doi-asserted-by":"crossref","first-page":"217835","DOI":"10.1016\/j.ccr.2026.217835","volume":"559","author":"Shahi","year":"2026","journal-title":"Coord. Chem. Rev."},{"key":"D6CP00888G\/cit49\/1","doi-asserted-by":"crossref","first-page":"1271","DOI":"10.1002\/anie.198912711","volume":"28","author":"Sellmann","year":"1989","journal-title":"Angew. Chem., Int. Ed. Engl."},{"key":"D6CP00888G\/cit50\/1","doi-asserted-by":"crossref","first-page":"7080","DOI":"10.1021\/ic1009187","volume":"49","author":"Gale","year":"2010","journal-title":"Inorg. Chem."},{"key":"D6CP00888G\/cit51\/1","doi-asserted-by":"crossref","first-page":"2085","DOI":"10.1016\/j.jorganchem.2009.02.010","volume":"694","author":"Wu","year":"2009","journal-title":"J. Organomet. Chem."},{"key":"D6CP00888G\/cit52\/1","doi-asserted-by":"crossref","first-page":"683","DOI":"10.1006\/jmbi.1998.1631","volume":"277","author":"Davy","year":"1998","journal-title":"J. Mol. Biol."},{"key":"D6CP00888G\/cit53\/1","doi-asserted-by":"crossref","first-page":"90","DOI":"10.1002\/ejic.200600318","author":"Gressenbuch","year":"2007","journal-title":"Eur. J. Inorg. Chem."},{"key":"D6CP00888G\/cit54\/1","doi-asserted-by":"crossref","first-page":"552","DOI":"10.1021\/ic00224a033","volume":"25","author":"Barefield","year":"1986","journal-title":"Inorg. Chem."},{"key":"D6CP00888G\/cit56\/1","doi-asserted-by":"crossref","first-page":"1444","DOI":"10.1002\/ejic.200500947","author":"Notni","year":"2006","journal-title":"Eur. J. Inorg. Chem."},{"key":"D6CP00888G\/cit57\/1","doi-asserted-by":"crossref","first-page":"1505","DOI":"10.1002\/ejic.200500751","author":"Madhu","year":"2006","journal-title":"Eur. J. Inorg. Chem."},{"key":"D6CP00888G\/cit58\/1","volume-title":"Spektroskopische Methoden in der organischen Chemie","author":"Hesse","year":"1987","unstructured":"M.Hesse ,  H.Meier  and  B.Zeeh ,  Spektroskopische Methoden in der organischen Chemie ,  Georg Thieme Verlag ,  Stuttgart, New York , 3. Aufl.,  1987"},{"key":"D6CP00888G\/cit59\/1","doi-asserted-by":"crossref","first-page":"91","DOI":"10.1039\/cs9800900091","volume":"9","author":"Emsley","year":"1980","journal-title":"Chem. Soc. Rev."},{"key":"D6CP00888G\/cit60\/1","doi-asserted-by":"crossref","first-page":"2433","DOI":"10.1139\/v73-363","volume":"51","author":"Fraser","year":"1973","journal-title":"Can. J. Chem."},{"key":"D6CP00888G\/cit61\/1","doi-asserted-by":"crossref","first-page":"17","DOI":"10.1016\/S0065-2318(09)00003-1","volume":"62","author":"Coxon","year":"2009","journal-title":"Adv. Carbohydr. Chem. Biochem."},{"key":"D6CP00888G\/cit62\/1","doi-asserted-by":"crossref","first-page":"903","DOI":"10.1146\/annurev.bi.41.070172.004351","volume":"41","author":"Englander","year":"1972","journal-title":"Annu. Rev. Biochem."},{"key":"D6CP00888G\/cit63\/1","doi-asserted-by":"crossref","first-page":"22","DOI":"10.1093\/hesc\/9780198703419.001.0001","volume-title":"Nuclear Magnetic Resonance","author":"Hore","year":"2015","unstructured":"P. J.Hore ,  Nuclear Magnetic Resonance , Oxford Chemistry Primers,  Oxford University Press ,  Oxford , 2nd edn,  2015 ,  p. 22"},{"key":"D6CP00888G\/cit64\/1","doi-asserted-by":"crossref","first-page":"178","DOI":"10.1006\/jmre.2002.2597","volume":"157","author":"Cierpicki","year":"2002","journal-title":"J. Magnet. Reson."},{"key":"D6CP00888G\/cit65\/1","doi-asserted-by":"crossref","first-page":"161","DOI":"10.1002\/pauz.19830120601","volume":"12","author":"Breitmeier","year":"1983","journal-title":"Pharm. Unserer Zeit"},{"key":"D6CP00888G\/cit66\/1","doi-asserted-by":"crossref","first-page":"11803","DOI":"10.1021\/j100096a028","volume":"98","author":"Hoelger","year":"1994","journal-title":"J. Phys. Chem."},{"key":"D6CP00888G\/cit67\/1","doi-asserted-by":"crossref","first-page":"567","DOI":"10.1080\/0144235X.2012.734157","volume":"31","author":"Kolehmainen","year":"2012","journal-title":"Int. Rev. Phys. Chem."},{"key":"D6CP00888G\/cit68\/1","doi-asserted-by":"crossref","first-page":"7505","DOI":"10.1021\/jo015558j","volume":"66","author":"Albelda","year":"2001","journal-title":"J. Org. Chem."},{"issue":"8","key":"D6CP00888G\/cit69\/1","doi-asserted-by":"crossref","first-page":"667","DOI":"10.1016\/S0040-4039(01)93540-3","volume":"20","author":"Mohammed","year":"1979","journal-title":"Tetrahedron Lett."},{"key":"D6CP00888G\/cit70\/1","doi-asserted-by":"crossref","first-page":"83","DOI":"10.1016\/S0926-2040(96)01252-0","volume":"7","author":"Sitkowski","year":"1996","journal-title":"Solid State Nucl. Magn. Reson."},{"key":"D6CP00888G\/cit71\/1","doi-asserted-by":"crossref","first-page":"5806","DOI":"10.1021\/jp8111556","volume":"113","author":"Mantina","year":"2009","journal-title":"J. Phys. Chem. A"},{"key":"D6CP00888G\/cit72\/1","doi-asserted-by":"crossref","first-page":"4110","DOI":"10.1002\/1521-3757(20011105)113:21<4109::AID-ANGE4109>3.0.CO;2-D","volume":"113","author":"Kersting","year":"2001","journal-title":"Angew. Chem."},{"key":"D6CP00888G\/cit73\/1","doi-asserted-by":"crossref","DOI":"10.1093\/oso\/9780198551683.001.0001","volume-title":"Atoms in Molecules-a Quantum Theory","author":"Bader","year":"1990","unstructured":"R. F. W.Bader ,  Atoms in Molecules-a Quantum Theory ,  Oxford University Press ,  Oxford, U.K. ,  1990"},{"key":"D6CP00888G\/cit74\/1","doi-asserted-by":"crossref","first-page":"7314","DOI":"10.1021\/jp981794v","volume":"102","author":"Bader","year":"1998","journal-title":"J. Phys. Chem. A"},{"key":"D6CP00888G\/cit75\/1","doi-asserted-by":"crossref","first-page":"9747","DOI":"10.1021\/j100024a016","volume":"99","author":"Koch","year":"1995","journal-title":"J. Phys. Chem. A"},{"issue":"1","key":"D6CP00888G\/cit76\/1","doi-asserted-by":"crossref","first-page":"239","DOI":"10.1021\/acs.jpca.7b08838","volume":"122","author":"Ramos","year":"2018","journal-title":"J. Phys. Chem. A"},{"key":"D6CP00888G\/cit77\/1","doi-asserted-by":"crossref","first-page":"2943","DOI":"10.1021\/jp8100859","volume":"113","author":"Zubatyuk","year":"2009","journal-title":"J. Phys. Chem. A"},{"key":"D6CP00888G\/cit78\/1","doi-asserted-by":"crossref","first-page":"12835","DOI":"10.1021\/ja0025705","volume":"122","author":"Arnold","year":"2000","journal-title":"J. Am. Chem. Soc."},{"key":"D6CP00888G\/cit79\/1","doi-asserted-by":"crossref","first-page":"170","DOI":"10.1016\/S0009-2614(98)00036-0","volume":"285","author":"Espinosa","year":"1998","journal-title":"Chem. Phys. Letters"},{"key":"D6CP00888G\/cit80\/1","doi-asserted-by":"crossref","first-page":"11154","DOI":"10.1021\/ja0017864","volume":"122","author":"Rozas","year":"2000","journal-title":"J. Am. Chem. Soc."},{"key":"D6CP00888G\/cit81\/1","doi-asserted-by":"crossref","first-page":"6587","DOI":"10.1021\/ja00489a008","volume":"100","author":"Kerns","year":"1978","journal-title":"J. Am. Chem. Soc."},{"key":"D6CP00888G\/cit82\/1","doi-asserted-by":"crossref","first-page":"5052","DOI":"10.1016\/S0021-9258(19)69365-8","volume":"256","author":"Sheridan","year":"1981","journal-title":"J. Biol. Chem."},{"issue":"6","key":"D6CP00888G\/cit83\/1","doi-asserted-by":"crossref","first-page":"899","DOI":"10.1021\/cr00088a005","volume":"88","author":"Reed","year":"1988","journal-title":"Chem. Rev."},{"issue":"1","key":"D6CP00888G\/cit84\/1","doi-asserted-by":"crossref","first-page":"18","DOI":"10.1007\/s00894-023-05811-1","volume":"30","author":"Afonin","year":"2023","journal-title":"J. Mol. Model."},{"key":"D6CP00888G\/cit85\/1","doi-asserted-by":"publisher","year":"2026","unstructured":"CCDC 2488309: Experimental Crystal Structure Determination ,  2026 10.5517\/ccdc.csd.cc2pj91l","DOI":"10.5517\/ccdc.csd.cc2pj91l"}],"container-title":["Physical Chemistry Chemical Physics"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/pubs.rsc.org\/CP\/article-pdf\/doi\/10.1039\/D6CP00888G\/0\/D6CP00888G.pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,10,1]],"date-time":"2026-10-01T09:16:33Z","timestamp":1790846193000},"score":1,"resource":{"primary":{"URL":"http:\/\/pubs.rsc.org\/CP\/article-lookup\/doi\/10.1039\/D6CP00888G"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026]]},"references-count":87,"journal-issue":{"issue":"37","published-print":{"date-parts":[[2026,9,30]]}},"URL":"https:\/\/doi.org\/10.1039\/d6cp00888g","relation":{"has-review":[{"id-type":"doi","id":"10.1039\/D6CP00888G\/v1\/review2","asserted-by":"object"},{"id-type":"doi","id":"10.1039\/D6CP00888G\/v2\/decision1","asserted-by":"object"},{"id-type":"doi","id":"10.1039\/D6CP00888G\/v2\/response1","asserted-by":"object"},{"id-type":"doi","id":"10.1039\/D6CP00888G\/v1\/review1","asserted-by":"object"},{"id-type":"doi","id":"10.1039\/D6CP00888G\/v1\/decision1","asserted-by":"object"}]},"ISSN":["1463-9076","1463-9084"],"issn-type":[{"value":"1463-9076","type":"print"},{"value":"1463-9084","type":"electronic"}],"subject":[],"published":{"date-parts":[[2026]]}}}