{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,14]],"date-time":"2026-10-14T18:47:56Z","timestamp":1792003676535,"version":"4.4.0"},"reference-count":65,"publisher":"Wiley","issue":"19","license":[{"start":{"date-parts":[[2026,10,4]],"date-time":"2026-10-04T00:00:00Z","timestamp":1791072000000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"},{"start":{"date-parts":[[2026,10,4]],"date-time":"2026-10-04T00:00:00Z","timestamp":1791072000000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/doi.wiley.com\/10.1002\/tdm_license_1.1"}],"content-domain":{"domain":["chemistry-europe.onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["ChemPhysChem"],"published-print":{"date-parts":[[2026,10,14]]},"abstract":"<jats:p>\n                    Electron delocalization in microsolvated clusters can substantially modify the character of electronic states accessed after core excitation. In this work, the K\u2010edge XANES spectra of [Al(H\n                    <jats:sub>2<\/jats:sub>\n                    O)\n                    <jats:italic>\n                      <jats:sub>n<\/jats:sub>\n                    <\/jats:italic>\n                    ]\n                    <jats:sup>3+<\/jats:sup>\n                    , with\n                    <jats:italic>n<\/jats:italic>\n                    \u2009=\u20091\u20136 complexes, are examined using the fc\u2010CVS\u2010EOM\u2010CCSD and CVS\u2010ADC(2)\u2010x methods. We evaluate the influence of progressive hydration within first\u2010 and second\u2010shell configurations on the core\u2010excited electronic structure. Systematic variations occur in spectral properties for excitations into valence\u2010like 3s, 3p, 4s, and 3d states. The charge\u2013transfer analysis of representative 1s\u2009\u2192\u20093p transitions indicates changes in spatial distribution and degree of excited\u2010electron delocalization. Our results demonstrate the selective dependence of solvation geometry on governing the Al K\u2010edge spectral features and the comparative application of highly correlated wave function approaches providing a method\u2010resolved picture of the underlying microsolvation effect.\n                  <\/jats:p>","DOI":"10.1002\/cphc.70576","type":"journal-article","created":{"date-parts":[[2026,10,5]],"date-time":"2026-10-05T05:41:00Z","timestamp":1791178860000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Effect of Charge Transfer and Solvation on X\u2010Ray Absorption Near\u2010Edge Spectra in Microsolvated Environment"],"prefix":"10.1002","volume":"27","author":[{"ORCID":"https:\/\/orcid.org\/0009-0004-0953-4006","authenticated-orcid":false,"given":"Ninad","family":"Tirlotkar","sequence":"first","affiliation":[{"name":"Ashoka University  Sonipat 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