{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,15]],"date-time":"2026-09-15T21:54:16Z","timestamp":1789509256911,"version":"build-2803163510"},"reference-count":106,"publisher":"American Chemical Society (ACS)","issue":"30","license":[{"start":{"date-parts":[[2024,7,22]],"date-time":"2024-07-22T00:00:00Z","timestamp":1721606400000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2024,7,22]],"date-time":"2024-07-22T00:00:00Z","timestamp":1721606400000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2024,7,22]],"date-time":"2024-07-22T00:00:00Z","timestamp":1721606400000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"funder":[{"DOI":"10.13039\/100008605","name":"Indian National Science Academy","doi-asserted-by":"publisher","id":[{"id":"10.13039\/100008605","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001501","name":"University Grants Commission","doi-asserted-by":"publisher","award":["F.30-56\/2014\/BSR"],"award-info":[{"award-number":["F.30-56\/2014\/BSR"]}],"id":[{"id":"10.13039\/501100001501","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Phys. Chem. A"],"published-print":{"date-parts":[[2024,8,1]]},"DOI":"10.1021\/acs.jpca.4c01176","type":"journal-article","created":{"date-parts":[[2024,7,22]],"date-time":"2024-07-22T12:12:43Z","timestamp":1721650363000},"page":"6099-6115","source":"Crossref","is-referenced-by-count":26,"title":["Molecular Tailoring Approach for the Direct Estimation of Individual Noncovalent Interaction Energies in Molecular Systems"],"prefix":"10.1021","volume":"128","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-0377-0647","authenticated-orcid":true,"given":"Mini Bharati","family":"Ahirwar","sequence":"first","affiliation":[{"name":"Department of Chemistry, Dr. Harisingh Gour Vishwavidyalaya (A Central University), Sagar 470003, India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3234-3959","authenticated-orcid":true,"given":"Shridhar R.","family":"Gadre","sequence":"additional","affiliation":[{"name":"Department of Scientific Computing, Modelling, & Simulation, Savitribai Phule Pune University, Pune 411007, India"},{"name":"Department of Chemistry, Savitribai Phule Pune University, Pune 411007, India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3518-7859","authenticated-orcid":true,"given":"Milind M.","family":"Deshmukh","sequence":"additional","affiliation":[{"name":"Department of Chemistry, Dr. Harisingh Gour Vishwavidyalaya (A Central University), Sagar 470003, India"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2024,7,22]]},"reference":[{"key":"ref1\/cit1","unstructured":"van der Waals, J. D. Over de Continuiteit van den Gas-en Vloeistoftoestand (On the Continuity of the Gas and Liquid State).\n                      Ph.D. Thesis\n                      ; University of Leiden: Leiden, 1837."},{"key":"ref2\/cit2","first-page":"168","volume-title":"Proceedings of the Koninklijke Nederlandse Akademie van Wetenschappen (KNAW)","author":"Kamerlingh Onnes H.","year":"1909"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1007\/BF01341258"},{"key":"ref4\/cit4","doi-asserted-by":"crossref","DOI":"10.1017\/CBO9780511535420","volume-title":"Cohesion: A Scientific History of Intermolecular Forces","author":"Rowlinson J. S.","year":"2002"},{"key":"ref5\/cit5","volume-title":"Zwischenmolekulare Kr\u00e4fte","author":"Briegleb G.","year":"1937"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1007\/BF00747051"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1039\/D2CP03904D"},{"key":"ref8\/cit8","volume-title":"Biochemistry","author":"Berg J. M.","year":"2007","edition":"6"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1038\/nchembio0808-435"},{"key":"ref10\/cit10","volume-title":"Molecular Biology of the Gene","author":"Watson D.","year":"1976","edition":"3"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1002\/1521-3773(20010518)40:10<1808::AID-ANIE1808>3.0.CO;2\u20131"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.3390\/molecules25112703"},{"key":"ref13\/cit13","unstructured":"Chaplin, M. F. In\n                      \n                        Water and Life: The Unique Properties of H\n                        2\n                        O\n                      \n                      ; Lynden-Bell, R. M., Morris, S. M., Barrow, J. D., Finney, J. L., Harper, C., Eds. CRC Press, 2010; pp 69\u201386."},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1002\/poc.4340"},{"key":"ref15\/cit15","volume-title":"The Nature of the Chemical Bond and the Structure of Molecules in Crystal: An Introduction to Modern Structural Chemistry","author":"Pauling L.","year":"1939"},{"key":"ref16\/cit16","volume-title":"An Introduction to Hydrogen Bonding","author":"Jeffery G. A.","year":"1997"},{"key":"ref17\/cit17","volume-title":"The Weak Hydrogen Bond: In Structural Chemistry and Biology","author":"Desiraju G. R.","year":"1999"},{"key":"ref18\/cit18","doi-asserted-by":"crossref","DOI":"10.1093\/oso\/9780195090116.001.0001","volume-title":"Hydrogen Bond: A Theoretical Perspective","author":"Scheiner S.","year":"1997"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1021\/j150375a004"},{"key":"ref20\/cit20","volume-title":"The Hydrogen Bond","author":"Pimentel G. C.","year":"1960"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1351\/PAC-REP-10-01-01"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemrev.6b00765"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemrev.5b00664"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1021\/cr990054v"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1021\/ja067545z"},{"key":"ref26\/cit26","volume-title":"High Resolution Nuclear Magnetic Resonance","author":"Pople J. A.","year":"1959"},{"key":"ref27\/cit27","volume-title":"Ultraviolet and Visible Spectroscopy-Chemical Applications","author":"Rao C. N. R.","year":"1967","edition":"2"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1021\/ar800001k"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1039\/C5NP00094G"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1007\/978-3-319-27282-5"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1063\/1.1681930"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1021\/jp2069489"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1039\/C4CP01204F"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1021\/jp971464v"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1021\/jp013125e"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1021\/ja973105j"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1016\/j.chemphys.2010.08.005"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1021\/ja805843n"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1021\/ja0010094"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1021\/jp071337r"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1021\/jp981794v"},{"key":"ref42\/cit42","volume-title":"Electrostatics of Atoms and Molecules","author":"Gadre S. R.","year":"2000"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1007\/s00894-018-3684-x"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1016\/S0009-2614(98)00036-0"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.3390\/molecules25174028"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.27133"},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.1016\/S1386\u20131425(98)00348-5"},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.26482"},{"key":"ref49\/cit49","doi-asserted-by":"publisher","DOI":"10.3390\/molecules25235512"},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1021\/jp9716851"},{"key":"ref51\/cit51","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpca.1c05677"},{"issue":"19","key":"ref52\/cit52","first-page":"5108","volume":"47","author":"Romkes M.","year":"1987","journal-title":"Cancer Res."},{"key":"ref53\/cit53","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.25174"},{"key":"ref54\/cit54","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpca.2c06965"},{"key":"ref55\/cit55","doi-asserted-by":"publisher","DOI":"10.1021\/jp0716740"},{"key":"ref56\/cit56","doi-asserted-by":"publisher","DOI":"10.1007\/s00894-022-05190-z"},{"key":"ref57\/cit57","doi-asserted-by":"publisher","DOI":"10.1063\/1.472045"},{"key":"ref58\/cit58","doi-asserted-by":"publisher","DOI":"10.1016\/S1574\u20131400(07)03010\u20131"},{"key":"ref59\/cit59","doi-asserted-by":"publisher","DOI":"10.1063\/1.4840776"},{"key":"ref60\/cit60","doi-asserted-by":"publisher","DOI":"10.1039\/D1CP02301B"},{"key":"ref61\/cit61","doi-asserted-by":"publisher","DOI":"10.1021\/jp065836o"},{"key":"ref62\/cit62","doi-asserted-by":"publisher","DOI":"10.1021\/jp076316b"},{"key":"ref63\/cit63","doi-asserted-by":"publisher","DOI":"10.1021\/j100088a013"},{"key":"ref64\/cit64","doi-asserted-by":"publisher","DOI":"10.1063\/1.2339019"},{"key":"ref65\/cit65","doi-asserted-by":"publisher","DOI":"10.1063\/1.4943966"},{"key":"ref66\/cit66","doi-asserted-by":"publisher","DOI":"10.1021\/cr4006632"},{"key":"ref67\/cit67","doi-asserted-by":"publisher","DOI":"10.1016\/j.cpc.2021.108175"},{"key":"ref68\/cit68","doi-asserted-by":"publisher","DOI":"10.3390\/molecules26102928"},{"key":"ref69\/cit69","doi-asserted-by":"publisher","DOI":"10.1039\/C5NJ02106E"},{"key":"ref70\/cit70","doi-asserted-by":"publisher","DOI":"10.1039\/C5CP02690C"},{"key":"ref71\/cit71","doi-asserted-by":"publisher","DOI":"10.1021\/jp9031207"},{"key":"ref72\/cit72","doi-asserted-by":"publisher","DOI":"10.1016\/j.molstruc.2019.03.064"},{"key":"ref73\/cit73","doi-asserted-by":"publisher","DOI":"10.1016\/j.molstruc.2020.128773"},{"key":"ref74\/cit74","doi-asserted-by":"publisher","DOI":"10.1021\/jo0342931"},{"key":"ref75\/cit75","doi-asserted-by":"publisher","DOI":"10.1039\/C8CP06708B"},{"key":"ref76\/cit76","doi-asserted-by":"publisher","DOI":"10.1039\/D0NJ00304B"},{"key":"ref77\/cit77","doi-asserted-by":"publisher","DOI":"10.3390\/molecules28020536"},{"key":"ref78\/cit78","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.21881"},{"key":"ref79\/cit79","doi-asserted-by":"publisher","DOI":"10.1021\/jp3006519"},{"key":"ref80\/cit80","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpca.0c05631"},{"key":"ref81\/cit81","doi-asserted-by":"publisher","DOI":"10.1021\/cr300042h"},{"key":"ref82\/cit82","doi-asserted-by":"publisher","DOI":"10.1039\/D1CP02839A"},{"key":"ref83\/cit83","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpca.1c06478"},{"key":"ref84\/cit84","doi-asserted-by":"publisher","DOI":"10.1039\/D1NJ05431G"},{"key":"ref85\/cit85","doi-asserted-by":"publisher","DOI":"10.1002\/cphc.202200143"},{"key":"ref86\/cit86","doi-asserted-by":"publisher","DOI":"10.1002\/cphc.202200476"},{"key":"ref87\/cit87","doi-asserted-by":"publisher","DOI":"10.1126\/science.181.4096.223"},{"key":"ref88\/cit88","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpca.1c03907"},{"key":"ref89\/cit89","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpca.3c00359"},{"key":"ref90\/cit90","doi-asserted-by":"publisher","DOI":"10.1039\/D2CP01663J"},{"key":"ref91\/cit91","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpca.2c08087"},{"key":"ref92\/cit92","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.27237"},{"key":"ref93\/cit93","doi-asserted-by":"publisher","DOI":"10.1021\/jp7116196"},{"key":"ref94\/cit94","doi-asserted-by":"publisher","DOI":"10.1021\/ci500107w"},{"key":"ref95\/cit95","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpca.5b02343"},{"key":"ref96\/cit96","doi-asserted-by":"publisher","DOI":"10.3390\/molecules22030481"},{"key":"ref97\/cit97","doi-asserted-by":"publisher","DOI":"10.1039\/D0CP04432F"},{"key":"ref98\/cit98","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.26175"},{"key":"ref99\/cit99","doi-asserted-by":"publisher","DOI":"10.1007\/s11224-019-01415-9"},{"key":"ref100\/cit100","doi-asserted-by":"publisher","DOI":"10.1021\/acscatal.7b02446"},{"key":"ref101\/cit101","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpca.3c04181"},{"key":"ref102\/cit102","doi-asserted-by":"publisher","DOI":"10.1021\/cr990112c"},{"key":"ref103\/cit103","doi-asserted-by":"publisher","DOI":"10.1039\/C3CS60279F"},{"key":"ref104\/cit104","doi-asserted-by":"publisher","DOI":"10.1107\/S0567740879003691"},{"key":"ref105\/cit105","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.1c11928"},{"key":"ref106\/cit106","doi-asserted-by":"publisher","DOI":"10.1016\/S0021-9258(18)33335-0"}],"container-title":["The Journal of Physical Chemistry A"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jpca.4c01176","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jpca.4c01176","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2024,8,1]],"date-time":"2024-08-01T07:12:17Z","timestamp":1722496337000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jpca.4c01176"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2024,7,22]]},"references-count":106,"journal-issue":{"issue":"30","published-print":{"date-parts":[[2024,8,1]]}},"alternative-id":["10.1021\/acs.jpca.4c01176"],"URL":"https:\/\/doi.org\/10.1021\/acs.jpca.4c01176","relation":{},"ISSN":["1089-5639","1520-5215"],"issn-type":[{"value":"1089-5639","type":"print"},{"value":"1520-5215","type":"electronic"}],"subject":[],"published":{"date-parts":[[2024,7,22]]}}}