{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,5]],"date-time":"2026-07-05T18:21:12Z","timestamp":1783275672487,"version":"3.54.6"},"update-to":[{"DOI":"10.1039\/c3cp50868d","type":"clarification","label":"Clarification","source":"publisher","updated":{"date-parts":[[2019,7,31]],"date-time":"2019-07-31T00:00:00Z","timestamp":1564531200000}}],"reference-count":55,"publisher":"Royal Society of Chemistry (RSC)","issue":"32","license":[{"start":{"date-parts":[[2020,7,31]],"date-time":"2020-07-31T00:00:00Z","timestamp":1596153600000},"content-version":"am","delay-in-days":577,"URL":"http:\/\/rsc.li\/journals-terms-of-use"}],"content-domain":{"domain":["rsc.org"],"crossmark-restriction":true},"short-container-title":["Phys. Chem. Chem. Phys."],"abstract":"<jats:p>Resonance in the amide bond in \u03b2-lactams and penicillin structures is computed to be strong invalidating a previous estimation.<\/jats:p>","DOI":"10.1039\/c8cp02413h","type":"journal-article","created":{"date-parts":[[2019,7,31]],"date-time":"2019-07-31T03:54:11Z","timestamp":1564545251000},"page":"18012-18025","update-policy":"https:\/\/doi.org\/10.1039\/rsc_crossmark_policy","source":"Crossref","is-referenced-by-count":4,"title":["Comment on \u201cPenicillin\u2019s catalytic mechanism revealed by inelastic neutrons and quantum chemical theory\u201d by Z. Mucsi, G. A. Chass, P. \u00c1br\u00e1nyi-Balogh, B. J\u00f3j\u00e1rt, D.-C. Fang, A. J. Ramirez-Cuesta, B. Viskolczc and I. G. Csizmadia,\n                    <i>Phys. Chem. Chem. Phys.<\/i>\n                    , 2013,\n                    <b>15<\/b>\n                    , 20447"],"prefix":"10.1039","volume":"21","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-9344-8669","authenticated-orcid":false,"given":"Stephen A.","family":"Glover","sequence":"first","affiliation":[{"name":"Department of Chemistry, School of Science and Technology, University of New England, Armidale, New South Wales, 2350, Australia"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"292","published-online":{"date-parts":[[2019]]},"reference":[{"key":"C8CP02413H\/cit1","doi-asserted-by":"crossref","first-page":"128","DOI":"10.3390\/antibiotics3020128","volume":"3","author":"Konaklieva","year":"2014","journal-title":"Antibiotics"},{"key":"C8CP02413H\/cit2","doi-asserted-by":"crossref","first-page":"144","DOI":"10.1021\/ar00100a005","volume":"17","author":"Page","year":"1984","journal-title":"Acc. Chem. Res."},{"key":"C8CP02413H\/cit3","first-page":"165","volume":"23","author":"Page","year":"1987","journal-title":"Adv. Phys. Org. Chem."},{"key":"C8CP02413H\/cit4","doi-asserted-by":"crossref","first-page":"4204","DOI":"10.1021\/jo000176j","volume":"65","author":"Page","year":"2000","journal-title":"J. Org. Chem."},{"key":"C8CP02413H\/cit5","doi-asserted-by":"crossref","first-page":"2850","DOI":"10.1021\/jm0111245","volume":"45","author":"Sykes","year":"2002","journal-title":"J. Med. Chem."},{"key":"C8CP02413H\/cit6","first-page":"479","volume-title":"Comprehensive Medicinal Chemistry II, Therepeutic Areas II: Cancer, Infectious Diseases, Inflammation & Immunology and Dermatology","author":"Hubschwerlen","year":"2007","unstructured":"C.Hubschwerlen , in  Comprehensive Medicinal Chemistry II, Therepeutic Areas II: Cancer, Infectious Diseases, Inflammation & Immunology and Dermatology , ed.  J. J. Plattner  and  M. C. Desai ,  Elsevier Ltd .,  Oxford ,  2007 , vol. 7,  pp. 479\u2013518"},{"key":"C8CP02413H\/cit7","first-page":"64","volume-title":"Priveleged Scaffolds in Medicinal Chemistry: Design, Synthesis and Evaluation","author":"Fisher","year":"2016","unstructured":"J. F.Fisher  and  S.Mobashery , in  Priveleged Scaffolds in Medicinal Chemistry: Design, Synthesis and Evaluation , ed.  S. Br\u00e4se ,  Royal Society of Chemistry ,  Oxford ,  2016 , ch. 3,  pp. 64\u201395"},{"key":"C8CP02413H\/cit8","first-page":"299","volume-title":"Comprehensive Heterocyclic Chemistry, The Structure, Reactions, Synthesis and Uses of Heterocyclic Comounds: Small and Large Rings","author":"McGregor","year":"1984","unstructured":"D. N.McGregor , in  Comprehensive Heterocyclic Chemistry, The Structure, Reactions, Synthesis and Uses of Heterocyclic Comounds: Small and Large Rings , ed.  W. Lwowski ,  Pergamon Press ,  Oxford , 1st edn,  1984 , vol. 7,  pp. 299\u2013339"},{"key":"C8CP02413H\/cit9","doi-asserted-by":"crossref","first-page":"311","DOI":"10.1023\/A:1022003303575","volume":"10","author":"Dapporto","year":"1999","journal-title":"Struct. Chem."},{"key":"C8CP02413H\/cit10","doi-asserted-by":"crossref","first-page":"259","DOI":"10.1021\/jm00356a027","volume":"26","author":"Cohen","year":"1983","journal-title":"J. Med. Chem."},{"key":"C8CP02413H\/cit11","doi-asserted-by":"crossref","first-page":"943","DOI":"10.1039\/P29960000943","author":"Nangia","year":"1996","journal-title":"J. Chem. Soc., Perkin Trans. 2"},{"key":"C8CP02413H\/cit12","doi-asserted-by":"crossref","first-page":"1427","DOI":"10.1073\/pnas.98.4.1427","volume":"98","author":"Lee","year":"2001","journal-title":"Proc. Natl. Acad. Sci. U. S. A."},{"key":"C8CP02413H\/cit13","doi-asserted-by":"crossref","first-page":"9293","DOI":"10.1021\/ja801727k","volume":"130","author":"Shi","year":"2008","journal-title":"J. Am. Chem. Soc."},{"key":"C8CP02413H\/cit14","doi-asserted-by":"crossref","first-page":"20447","DOI":"10.1039\/C3CP50868D","author":"Mucsi","year":"2013","journal-title":"Phys. Chem. Chem. Phys."},{"key":"C8CP02413H\/cit15","doi-asserted-by":"crossref","first-page":"1905","DOI":"10.1039\/c2ob06717j","volume":"10","author":"Simon","year":"2012","journal-title":"Org. Biomol. Chem."},{"key":"C8CP02413H\/cit16","doi-asserted-by":"crossref","first-page":"9757","DOI":"10.1021\/jo201856u","volume":"76","author":"Glover","year":"2011","journal-title":"J. Org. Chem."},{"key":"C8CP02413H\/cit17","doi-asserted-by":"crossref","first-page":"5492","DOI":"10.1021\/jo300347k","volume":"77","author":"Glover","year":"2012","journal-title":"J. Org. Chem."},{"key":"C8CP02413H\/cit18","doi-asserted-by":"crossref","first-page":"507","DOI":"10.1071\/CH13557","volume":"67","author":"Glover","year":"2014","journal-title":"Aust. J. Chem."},{"key":"C8CP02413H\/cit19","doi-asserted-by":"crossref","first-page":"1344","DOI":"10.1071\/CH14270","volume":"67","author":"Glover","year":"2014","journal-title":"Aust. J. Chem."},{"key":"C8CP02413H\/cit20","doi-asserted-by":"crossref","first-page":"215","DOI":"10.1002\/poc.3322","volume":"28","author":"Glover","year":"2015","journal-title":"J. Phys. Org. Chem."},{"key":"C8CP02413H\/cit21","doi-asserted-by":"crossref","first-page":"1169","DOI":"10.1139\/cjc-2016-0300","volume":"94","author":"Glover","year":"2016","journal-title":"Can. J. Chem."},{"key":"C8CP02413H\/cit22","first-page":"47","volume-title":"The Amide Linkage. Structural Significance in Chemistry, Biochemistry and Materials Science","author":"Greenberg","year":"2003","unstructured":"A.Greenberg , in  The Amide Linkage. Structural Significance in Chemistry, Biochemistry and Materials Science , ed.  A. Greenberg ,  C. M. Breneman  and  J. F. Liebman ,  John Wiley & Sons, Inc .,  New York ,  2003 ,  pp. 47\u201383"},{"key":"C8CP02413H\/cit23","doi-asserted-by":"crossref","first-page":"8658","DOI":"10.1021\/ja960294h","volume":"118","author":"Greenberg","year":"1996","journal-title":"J. Am. Chem. Soc."},{"key":"C8CP02413H\/cit24","doi-asserted-by":"crossref","first-page":"6951","DOI":"10.1021\/ja00068a064","volume":"115","author":"Greenberg","year":"1993","journal-title":"J. Am. Chem. Soc."},{"key":"C8CP02413H\/cit25","volume-title":"Ab Initio Molecular Orbital Theory","author":"Hehre","year":"1986","unstructured":"W. J.Hehre ,  L.Radom ,  P. v. R.Schleyer  and  J. A.Pople ,  Ab Initio Molecular Orbital Theory ,  John Wiley & Sons ,  New York ,  1986"},{"key":"C8CP02413H\/cit26","first-page":"337","volume-title":"The Amide Linkage, structural Significance in Biochemistry, Chemistry, and Materials Science","author":"Boyd","year":"2003","unstructured":"D. B.Boyd , in  The Amide Linkage, structural Significance in Biochemistry, Chemistry, and Materials Science , ed.  A. Greenberg ,  C. M. Breneman  and  J. F. Liebman ,  John Wiley & Sons, Inc. ,  New York ,  2003 ,  p. 337"},{"key":"C8CP02413H\/cit27","volume-title":"X-Ray Analysis and Structure of Organic Molecules","author":"Dunitz","year":"1979","unstructured":"J. D.Dunitz ,  X-Ray Analysis and Structure of Organic Molecules ,  Cornell University Press ,  London ,  1979"},{"key":"C8CP02413H\/cit28","doi-asserted-by":"crossref","first-page":"169","DOI":"10.1016\/0022-2836(71)90419-0","volume":"59","author":"Winkler","year":"1971","journal-title":"J. Mol. Biol."},{"key":"C8CP02413H\/cit29","doi-asserted-by":"crossref","first-page":"10521","DOI":"10.1021\/jp063162b","volume":"110","author":"Novak","year":"2006","journal-title":"J. Phys. Chem. A"},{"key":"C8CP02413H\/cit30","doi-asserted-by":"crossref","first-page":"13245","DOI":"10.1021\/jp0759325","volume":"111","author":"Mucsi","year":"2007","journal-title":"J. Phys. Chem. A"},{"key":"C8CP02413H\/cit31","doi-asserted-by":"crossref","first-page":"7885","DOI":"10.1021\/jp8023292","volume":"112","author":"Mucsi","year":"2008","journal-title":"J. Phys. Chem. B"},{"key":"C8CP02413H\/cit32","unstructured":"Spartan \u201916 , Wavefunction Inc., Irvine, CA"},{"key":"C8CP02413H\/cit33","doi-asserted-by":"crossref","first-page":"2165","DOI":"10.1021\/jp810144q","volume":"113","author":"Ohlinger","year":"2009","journal-title":"J. Phys. Chem. A"},{"key":"C8CP02413H\/cit34","doi-asserted-by":"crossref","first-page":"4261","DOI":"10.1021\/ja00120a006","volume":"117","author":"Wiberg","year":"1995","journal-title":"J. Am. Chem. Soc."},{"key":"C8CP02413H\/cit35","doi-asserted-by":"crossref","first-page":"131","DOI":"10.1016\/S0166-1280(03)00294-X","volume":"632","author":"Jean","year":"2003","journal-title":"J. Mol. Struct."},{"key":"C8CP02413H\/cit36","first-page":"957","volume-title":"Comprehensive Organic Chemistry Vol. 2, Nitrogen Compounds, Carboxylic Acids, Phosphorous Compounds","author":"Challis","year":"1979","unstructured":"B.Challis  and  J.Challis , in  Comprehensive Organic Chemistry Vol. 2, Nitrogen Compounds, Carboxylic Acids, Phosphorous Compounds , ed.  I. O. Sutherland ,  Pergamon Press ,  Oxford ,  1979 ,  p. 957"},{"key":"C8CP02413H\/cit37","doi-asserted-by":"crossref","first-page":"1249","DOI":"10.1021\/jo00085a008","volume":"59","author":"Ojima","year":"1994","journal-title":"J. Org. Chem."},{"key":"C8CP02413H\/cit38","doi-asserted-by":"crossref","first-page":"1637","DOI":"10.1021\/jo971953r","volume":"63","author":"Ojima","year":"1998","journal-title":"J. Org. Chem."},{"key":"C8CP02413H\/cit39","doi-asserted-by":"crossref","first-page":"747","DOI":"10.1055\/s-1992-21479","author":"Bon","year":"1992","journal-title":"Synlett"},{"key":"C8CP02413H\/cit40","doi-asserted-by":"crossref","first-page":"4035","DOI":"10.1021\/jo00094a004","volume":"59","author":"Bon","year":"1994","journal-title":"J. Org. Chem."},{"key":"C8CP02413H\/cit41","doi-asserted-by":"crossref","first-page":"8910","DOI":"10.1021\/ja9804565","volume":"120","author":"Smith","year":"1998","journal-title":"J. Am. Chem. Soc."},{"key":"C8CP02413H\/cit42","first-page":"85","volume-title":"The Amide Linkage. Structural Significance in Chemistry, Biochemistry and Materials Science","author":"Brown","year":"2003","unstructured":"R. S.Brown , in  The Amide Linkage. Structural Significance in Chemistry, Biochemistry and Materials Science , ed.  A. Greenberg ,  C. M. Breneman  and  J. F. Liebman ,  John Wiley & Sons, Inc .,  New York ,  2003 ,  p. 85"},{"key":"C8CP02413H\/cit43","first-page":"3722","volume":"45","author":"Hall","year":"1980","journal-title":"J. Am. Chem. Soc."},{"key":"C8CP02413H\/cit44","doi-asserted-by":"crossref","first-page":"5757","DOI":"10.1021\/ja00015a033","volume":"113","author":"Wang","year":"1991","journal-title":"J. Am. Chem. Soc."},{"key":"C8CP02413H\/cit45","doi-asserted-by":"crossref","first-page":"6383","DOI":"10.1021\/ja00173a029","volume":"112","author":"Bennet","year":"1990","journal-title":"J. Am. Chem. Soc."},{"key":"C8CP02413H\/cit46","doi-asserted-by":"crossref","first-page":"27","DOI":"10.1039\/C0OB00215A","volume":"9","author":"Szostak","year":"2011","journal-title":"Org. Biomol. Chem."},{"key":"C8CP02413H\/cit47","doi-asserted-by":"crossref","first-page":"5701","DOI":"10.1021\/cr4000144","volume":"113","author":"Szostak","year":"2013","journal-title":"Chem. Rev."},{"key":"C8CP02413H\/cit48","doi-asserted-by":"crossref","first-page":"926","DOI":"10.1021\/ja511460a","volume":"137","author":"Komarov","year":"2015","journal-title":"J. Am. Chem. Soc."},{"key":"C8CP02413H\/cit49","doi-asserted-by":"crossref","first-page":"522","DOI":"10.1039\/b008270h","author":"Kirby","year":"2001","journal-title":"J. Chem. Soc., Perkin Trans. 2"},{"key":"C8CP02413H\/cit50","first-page":"839","volume-title":"The Chemistry of Hydroxylamines,\nOximes and Hydroxamic, Acids, Part 2","author":"Glover","year":"2009","unstructured":"S. A.Glover , in  The Chemistry of Hydroxylamines,\nOximes and Hydroxamic, Acids, Part 2 , ed.  Z. Rappoport  and  J. F. Liebman ,  Wiley ,  Chichester ,  2009 ,  pp. 839\u2013923"},{"key":"C8CP02413H\/cit51","first-page":"35","volume-title":"Advances in Physical Organic Chemistry","author":"Glover","year":"2008","unstructured":"S. A.Glover , in  Advances in Physical Organic Chemistry , ed.  J. Richard ,  Elsevier ,  London ,  2008 , vol. 42,  pp. 35\u2013123"},{"key":"C8CP02413H\/cit52","doi-asserted-by":"crossref","first-page":"7229","DOI":"10.1016\/S0040-4020(98)00197-5","volume":"54","author":"Glover","year":"1998","journal-title":"Tetrahedron"},{"key":"C8CP02413H\/cit53","doi-asserted-by":"crossref","first-page":"4116","DOI":"10.1039\/c1ob00008j","volume":"9","author":"Digianantonio","year":"2011","journal-title":"Org. Biomol. Chem."},{"key":"C8CP02413H\/cit54","doi-asserted-by":"crossref","first-page":"2067","DOI":"10.1039\/p29910002067","author":"Campbell","year":"1991","journal-title":"J. Chem. Soc., Perkin Trans. 2"},{"key":"C8CP02413H\/cit55","doi-asserted-by":"crossref","first-page":"297","DOI":"10.1021\/ar0200899","volume":"37","author":"Page","year":"2004","journal-title":"Acc. Chem. Res."}],"updated-by":[{"DOI":"10.1039\/c9cp00152b","type":"clarification","label":"Clarification","source":"publisher","updated":{"date-parts":[[2019,9,19]],"date-time":"2019-09-19T00:00:00Z","timestamp":1568851200000}}],"container-title":["Physical Chemistry Chemical Physics"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/pubs.rsc.org\/en\/content\/articlepdf\/2019\/CP\/C8CP02413H","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,7,5]],"date-time":"2026-07-05T18:12:55Z","timestamp":1783275175000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.rsc.org\/cp\/article\/21\/32\/18012-18025\/922882"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2019]]},"references-count":55,"journal-issue":{"issue":"32","published-print":{"date-parts":[[2019,8,15]]}},"URL":"https:\/\/doi.org\/10.1039\/c8cp02413h","relation":{"has-review":[{"id-type":"doi","id":"10.3410\/f.736302830.793563614","asserted-by":"object"}]},"ISSN":["1463-9076","1463-9084"],"issn-type":[{"value":"1463-9076","type":"print"},{"value":"1463-9084","type":"electronic"}],"subject":[],"published":{"date-parts":[[2019]]}}}