{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,11]],"date-time":"2026-08-11T17:19:56Z","timestamp":1786468796477,"version":"build-2736575974"},"reference-count":63,"publisher":"Wiley","issue":"2","license":[{"start":{"date-parts":[[2026,1,9]],"date-time":"2026-01-09T00:00:00Z","timestamp":1767916800000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"},{"start":{"date-parts":[[2026,1,9]],"date-time":"2026-01-09T00:00:00Z","timestamp":1767916800000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/doi.wiley.com\/10.1002\/tdm_license_1.1"}],"content-domain":{"domain":["onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["J Comput Chem"],"published-print":{"date-parts":[[2026,1,15]]},"abstract":"<jats:title>ABSTRACT<\/jats:title>\n                  <jats:p>Hydrogen bonding was initially identified by comparing the distance between the heavy atoms D and A in a D\uf8ffH\u2022\u2022\u2022A hydrogen bond, to the sum of their van der Waals (vdW) radii as locating the H atom was not possible. In recent years, hydrogen bond radii (HBR) have been defined for typical hydrogen bond donors D\uf8ffH and acceptors, A. However, both these approaches make an unreasonable assumption of treating all the atoms as spheres. This study advances the understanding of hydrogen bond distances by estimating the shape of hydrogen atoms in H\uf8ffD molecules and in A\u2022\u2022\u2022H\uf8ffD complexes through electron density profiles. Results reveal that hydrogen exhibits an elliptical shape in both isolated HD molecules and A\u2022\u2022\u2022H\uf8ffD complexes, with the minor axis aligned along the H\uf8ffD bond. In non\u2010linear hydrogen bonds, HBR exhibits angle dependence due to anisotropy in H atomic structure, validated through quantum chemical calculations and Atoms in Molecules (AIM) theory. This study underscores the necessity of adopting directional and environment\u2010dependent HBR, short and long radii, over one spherical vdW or HBR for hydrogen bond identification. The proposed findings are also validated using the data for O\uf8ffH\u2022\u2022\u2022N and N\uf8ffH\u2022\u2022\u2022N hydrogen bonds identified in the CCDC database. We have demonstrated the utility of long and short radii using several illustrative examples.<\/jats:p>","DOI":"10.1002\/jcc.70313","type":"journal-article","created":{"date-parts":[[2026,1,9]],"date-time":"2026-01-09T17:25:21Z","timestamp":1767979521000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":3,"title":["The Long and Short Radii for Hydrogen in Hydrogen Bonded Complexes"],"prefix":"10.1002","volume":"47","author":[{"given":"Abhishek","family":"Shahi","sequence":"first","affiliation":[{"name":"Department of Chemistry GITAM (Deemed to be University)  Bangalore Karnataka India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9669-4307","authenticated-orcid":false,"given":"Elangannan","family":"Arunan","sequence":"additional","affiliation":[{"name":"Department of Inorganic and Physical Chemistry Indian Institute of Science  Bangalore India"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2026,1,9]]},"reference":[{"key":"e_1_2_7_2_1","volume-title":"The Nature of the Chemical Bond and the Structure of Molecules and Crystals; an Introduction to Modern Structural Chemistry","author":"Pauling L.","year":"1960"},{"key":"e_1_2_7_3_1","doi-asserted-by":"publisher","DOI":"10.1021\/j100785a001"},{"key":"e_1_2_7_4_1","doi-asserted-by":"publisher","DOI":"10.1023\/A:1011625728803"},{"key":"e_1_2_7_5_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.molstruc.2010.12.055"},{"key":"e_1_2_7_6_1","doi-asserted-by":"publisher","DOI":"10.1007\/BF00696950"},{"key":"e_1_2_7_7_1","doi-asserted-by":"publisher","DOI":"10.1007\/BF00703680"},{"key":"e_1_2_7_8_1","doi-asserted-by":"publisher","DOI":"10.1107\/S0108768185002129"},{"key":"e_1_2_7_9_1","first-page":"3015","article-title":"The Atomic Radii of the Elements","volume":"36","author":"Batsanov S. 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