{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,18]],"date-time":"2026-08-18T15:12:21Z","timestamp":1787065941897,"version":"build-2736575974"},"reference-count":48,"publisher":"American Chemical Society (ACS)","issue":"30","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Phys. Chem. A"],"published-print":{"date-parts":[[2006,8,1]]},"DOI":"10.1021\/jp061852+","type":"journal-article","created":{"date-parts":[[2006,7,13]],"date-time":"2006-07-13T06:00:29Z","timestamp":1152770429000},"page":"9451-9458","source":"Crossref","is-referenced-by-count":43,"title":["Protonolysis of the Hg\u2212C Bond of Chloromethylmercury and Dimethylmercury. A DFT and QTAIM Study"],"prefix":"10.1021","volume":"110","author":[{"given":"Boris","family":"Ni","sequence":"first","affiliation":[{"name":"Department of Chemistry and School of Geography and Earth Science, McMaster University, Hamilton, Ontario L8S 4M1, Canada"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"James R.","family":"Kramer","sequence":"additional","affiliation":[{"name":"Department of Chemistry and School of Geography and Earth Science, McMaster University, Hamilton, Ontario L8S 4M1, Canada"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Russell A.","family":"Bell","sequence":"additional","affiliation":[{"name":"Department of Chemistry and School of Geography and Earth Science, McMaster University, Hamilton, Ontario L8S 4M1, Canada"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Nick H.","family":"Werstiuk","sequence":"additional","affiliation":[{"name":"Department of Chemistry and School of Geography and Earth Science, McMaster University, Hamilton, Ontario L8S 4M1, Canada"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2006,7,13]]},"reference":[{"key":"jp0618521b00001\/jp0618521b00001_1","first-page":"39","volume-title":"Advances in Environmental Science and Technology","volume":"2","author":"Wood J.","year":"1971"},{"key":"jp0618521b00002\/jp0618521b00002_1","doi-asserted-by":"crossref","first-page":"543","DOI":"10.1146\/annurev.ecolsys.29.1.543","volume":"29","author":"Morel F. M. M.","year":"1998","journal-title":"Annu. Rev. Ecol. Syst."},{"key":"jp0618521b00003\/jp0618521b00003_1","volume-title":"Toxicological Effects of Methylmercury","author":"Goyer R. A.","year":"2000"},{"key":"jp0618521b00004\/jp0618521b00004_1","doi-asserted-by":"crossref","first-page":"1203","DOI":"10.1126\/science.1085941","volume":"301","author":"Harris H. H.","year":"2003","journal-title":"Science"},{"key":"jp0618521b00005\/jp0618521b00005_1","doi-asserted-by":"crossref","first-page":"477","DOI":"10.1007\/BF00342293","volume":"56","author":"Bloom N. S.","year":"1991","journal-title":"Water Air Soil Pollut."},{"key":"jp0618521b00006\/jp0618521b00006_1","first-page":"289","volume":"34","author":"Boudou A.","year":"1997","journal-title":"Metal Ions Biol. Syst."},{"key":"jp0618521b00007\/jp0618521b00007_1","doi-asserted-by":"crossref","first-page":"2556","DOI":"10.1021\/es971099l","volume":"32","author":"Marvin-Dipasquale M. C.","year":"1998","journal-title":"Environ. Sci. Technol."},{"key":"jp0618521b00008\/jp0618521b00008_1","doi-asserted-by":"crossref","first-page":"4908","DOI":"10.1021\/es0013125","volume":"34","author":"Marvin-Dipasquale M. C.","year":"2000","journal-title":"Environ. Sci. Technol."},{"key":"jp0618521b00009\/jp0618521b00009_1","doi-asserted-by":"crossref","first-page":"95","DOI":"10.1128\/mr.48.2.95-124.1984","volume":"48","author":"Robinson J. B.","year":"1984","journal-title":"Microbiol. Rev."},{"key":"jp0618521b00010\/jp0618521b00010_1","doi-asserted-by":"crossref","first-page":"975","DOI":"10.1016\/S0016-7037(96)00390-0","volume":"61","author":"Amyot M.","year":"1997","journal-title":"Geochim. Cosmochim. Acta"},{"key":"jp0618521b00011\/jp0618521b00011_1","doi-asserted-by":"crossref","first-page":"694","DOI":"10.1038\/380694a0","volume":"380","author":"Sellers P.","year":"1996","journal-title":"Nature"},{"key":"jp0618521b00012\/jp0618521b00012_1","doi-asserted-by":"crossref","first-page":"365","DOI":"10.1007\/BF01973709","volume":"67","author":"Suda I.","year":"1993","journal-title":"Arch. Toxicol."},{"key":"jp0618521b00013\/jp0618521b00013_1","doi-asserted-by":"crossref","first-page":"3","DOI":"10.1016\/0143-148X(81)90003-3","volume":"2","author":"Inoko M.","year":"1981","journal-title":"Environ. Pollut. B"},{"key":"jp0618521b00014\/jp0618521b00014_1","doi-asserted-by":"crossref","first-page":"3587","DOI":"10.1021\/jp980244u","volume":"102","author":"Tossell J. A.","year":"1998","journal-title":"J. Phys. Chem. A"},{"key":"jp0618521b00015\/jp0618521b00015_1","doi-asserted-by":"crossref","first-page":"2496","DOI":"10.1016\/S0043-1354(03)00039-3","volume":"37","author":"Chen J.","year":"2003","journal-title":"J. Water Res."},{"key":"jp0618521b00016\/jp0618521b00016_1","doi-asserted-by":"crossref","first-page":"4089","DOI":"10.1021\/bi00286a015","volume":"22","author":"Brown N. L.","year":"1983","journal-title":"Biochemistry"},{"key":"jp0618521b00017\/jp0618521b00017_1","doi-asserted-by":"crossref","first-page":"5975","DOI":"10.1073\/pnas.81.19.5975","volume":"81","author":"Misra T. K.","year":"1984","journal-title":"Proc. Natl. Acad. Sci. U.S.A."},{"key":"jp0618521b00018\/jp0618521b00018_1","doi-asserted-by":"crossref","first-page":"7192","DOI":"10.1021\/bi00370a064","volume":"25","author":"Begley T. P.","year":"1986","journal-title":"Biochemistry"},{"key":"jp0618521b00019\/jp0618521b00019_1","doi-asserted-by":"crossref","first-page":"301","DOI":"10.1021\/ar00177a006","volume":"23","author":"Moore M. J.","year":"1990","journal-title":"Acc. Chem. Res."},{"key":"jp0618521b00020\/jp0618521b00020_1","doi-asserted-by":"crossref","first-page":"10287","DOI":"10.1021\/bi0259148","volume":"41","author":"Pitts K. E.","year":"2002","journal-title":"Biochemistry"},{"key":"jp0618521b00021\/jp0618521b00021_1","doi-asserted-by":"crossref","first-page":"2301","DOI":"10.1002\/ejic.200300907","author":"Wilhelm M.","year":"2004","journal-title":"Eur. J. Inorg. Chem."},{"key":"jp0618521b00022\/jp0618521b00022_1","doi-asserted-by":"crossref","first-page":"8322","DOI":"10.1021\/bi049669z","volume":"43","author":"Di Lello P.","year":"2004","journal-title":"Biochemistry"},{"key":"jp0618521b00023\/jp0618521b00023_1","doi-asserted-by":"crossref","first-page":"12743","DOI":"10.1021\/j100034a010","volume":"99","author":"Barone V.","year":"1995","journal-title":"J. Phys. Chem."},{"key":"jp0618521b00024\/jp0618521b00024_1","doi-asserted-by":"crossref","first-page":"1465","DOI":"10.1021\/om9508391","volume":"15","author":"Barone V.","year":"1996","journal-title":"Organometallics"},{"key":"jp0618521b00025\/jp0618521b00025_1","doi-asserted-by":"crossref","first-page":"361","DOI":"10.1002\/(SICI)1097-461X(1997)61:3<361::AID-QUA1>3.0.CO;2-U","volume":"61","author":"Barone V.","year":"1997","journal-title":"Int. J. Quantum Chem."},{"key":"jp0618521b00026\/jp0618521b00026_1","doi-asserted-by":"crossref","DOI":"10.1093\/oso\/9780198551683.001.0001","volume-title":"Atoms in Molecules","author":"Bader R. F. W.","year":"1990"},{"key":"jp0618521b00027\/jp0618521b00027_1","volume-title":"F. AIM 2000; University of Applied Science:\u2009 Bielefeld","author":"Biegler-Konig"},{"key":"jp0618521b00028\/jp0618521b00028_1","doi-asserted-by":"crossref","first-page":"1111","DOI":"10.1016\/j.gca.2004.07.036","volume":"69","author":"Yoon S. J.","year":"2005","journal-title":"Geochim. Cosmochim. Acta"},{"key":"jp0618521b00029\/jp0618521b00029_1","volume-title":"Gaussian 98, revision A.9","author":"Frisch M. J.","year":"1998"},{"key":"jp0618521b00030\/jp0618521b00030_1","doi-asserted-by":"crossref","first-page":"13244","DOI":"10.1103\/PhysRevB.45.13244","volume":"45","author":"Perdew J. P.","year":"1992","journal-title":"Phys. Rev. B"},{"key":"jp0618521b00031\/jp0618521b00031_1","doi-asserted-by":"crossref","first-page":"123","DOI":"10.1007\/BF01114537","volume":"77","author":"Andrae D.","year":"1990","journal-title":"Theor. Chim. Acta"},{"key":"jp0618521b00032\/jp0618521b00032_1","doi-asserted-by":"crossref","first-page":"3939","DOI":"10.1021\/ja039248p","volume":"126","author":"Cox H.","year":"2004","journal-title":"J. Am. Chem. Soc."},{"key":"jp0618521b00033\/jp0618521b00033_1","doi-asserted-by":"crossref","first-page":"229","DOI":"10.1016\/0009-2614(94)00788-8","volume":"227","author":"Gleichmann M. M.","year":"1994","journal-title":"Chem. Phys. Lett."},{"key":"jp0618521b00034\/jp0618521b00034_1","doi-asserted-by":"crossref","first-page":"48","DOI":"10.1063\/1.1329891","volume":"114","author":"Jong W. A.","year":"2001","journal-title":"J. Chem. Phys."},{"key":"jp0618521b00035\/jp0618521b00035_1","doi-asserted-by":"crossref","first-page":"99","DOI":"10.1016\/0022-1902(80)80052-2","volume":"42","author":"Casas J. S.","year":"1980","journal-title":"J. Inorg. Nucl. Chem."},{"key":"jp0618521b00036\/jp0618521b00036_1","doi-asserted-by":"crossref","DOI":"10.1007\/978-1-4757-5506-0","volume-title":"Critical Stability Constants","author":"Smith R. M.","year":"1976"},{"key":"jp0618521b00037\/jp0618521b00037_1","doi-asserted-by":"crossref","first-page":"345","DOI":"10.2138\/rmg.2001.42.10","volume":"42","author":"Gibbs G. V.","year":"2002","journal-title":"Rev. Miner. Geochem."},{"key":"jp0618521b00038\/jp0618521b00038_1","doi-asserted-by":"crossref","first-page":"1720","DOI":"10.1002\/jcc.10435","volume":"24","author":"Wang Y.-G.","year":"2003","journal-title":"J. Comput. Chem."},{"key":"jp0618521b00039\/jp0618521b00039_1","doi-asserted-by":"crossref","first-page":"239","DOI":"10.1016\/0301-0104(82)85072-6","volume":"65","author":"Miertus S.","year":"1982","journal-title":"Chem. Phys."},{"key":"jp0618521b00040\/jp0618521b00040_1","doi-asserted-by":"crossref","first-page":"327","DOI":"10.1016\/0009-2614(96)00349-1","volume":"255","author":"Cossi M.","year":"1996","journal-title":"Chem. Phys. Lett."},{"key":"jp0618521b00041\/jp0618521b00041_1","doi-asserted-by":"crossref","first-page":"2154","DOI":"10.1063\/1.456010","volume":"90","author":"Gonzalez C.","year":"1989","journal-title":"J. Chem. Phys."},{"key":"jp0618521b00042\/jp0618521b00042_1","doi-asserted-by":"crossref","first-page":"5523","DOI":"10.1021\/j100377a021","volume":"94","author":"Gonzalez C.","year":"1990","journal-title":"J. Phys. Chem."},{"key":"jp0618521b00043\/jp0618521b00043_1","doi-asserted-by":"crossref","first-page":"1246","DOI":"10.1021\/ic00177a016","volume":"23","author":"Rabenstein D. L.","year":"1984","journal-title":"Inorg. Chem."},{"key":"jp0618521b00044\/jp0618521b00044_1","doi-asserted-by":"crossref","first-page":"114","DOI":"10.1021\/ja00417a020","volume":"98","author":"Rueben D. M. E.","year":"1976","journal-title":"J. Am. Chem. Soc."},{"key":"jp0618521b00045\/jp0618521b00045_1","unstructured":"NIST Critically Selected Stability Constants of Metal Complexes\n                      ; NIST Standard Reference Database; National Institute of Standards and Technology (NIST):\u2009 Gaithersburg, MD, 2001."},{"key":"jp0618521b00046\/jp0618521b00046_1","doi-asserted-by":"crossref","first-page":"1245","DOI":"10.1021\/ja00159a054","volume":"112","author":"Gruff E. S.","year":"1990","journal-title":"J. Am. Chem. Soc."},{"key":"jp0618521b00047\/jp0618521b00047_1","doi-asserted-by":"crossref","first-page":"2434","DOI":"10.1021\/ja00162a062","volume":"112","author":"Wright J. G.","year":"1990","journal-title":"J. Am. Chem. Soc."},{"key":"jp0618521b00048\/jp0618521b00048_1","doi-asserted-by":"crossref","first-page":"8333","DOI":"10.1021\/bi049662h","volume":"43","author":"Benison G. C.","year":"2004","journal-title":"Biochemistry"}],"container-title":["The Journal of Physical Chemistry A"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/jp061852%2B","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2024,2,5]],"date-time":"2024-02-05T03:32:37Z","timestamp":1707103957000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/jp061852%2B"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2006,7,13]]},"references-count":48,"aliases":["10.1021\/jp061852"],"journal-issue":{"issue":"30","published-print":{"date-parts":[[2006,8,1]]}},"alternative-id":["10.1021\/jp061852+"],"URL":"https:\/\/doi.org\/10.1021\/jp061852+","relation":{},"ISSN":["1089-5639","1520-5215"],"issn-type":[{"value":"1089-5639","type":"print"},{"value":"1520-5215","type":"electronic"}],"subject":[],"published":{"date-parts":[[2006,7,13]]}}}