{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,11,1]],"date-time":"2025-11-01T21:28:19Z","timestamp":1762032499577},"reference-count":125,"publisher":"American Chemical Society (ACS)","issue":"4","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Phys. Chem. A"],"published-print":{"date-parts":[[2005,2,1]]},"DOI":"10.1021\/jp045143c","type":"journal-article","created":{"date-parts":[[2005,1,27]],"date-time":"2005-01-27T05:23:00Z","timestamp":1106803380000},"page":"690-702","source":"Crossref","is-referenced-by-count":32,"title":["Electronic Structure of Mercury Oligomers and Exciplexes:\u2009 Models for Long-Range\/Multicenter Bonding in Phosphorescent Transition-Metal Compounds"],"prefix":"10.1021","volume":"109","author":[{"given":"Mohammad A.","family":"Omary","sequence":"first","affiliation":[{"name":"Department of Chemistry, University of North Texas, P.O. Box 305070, Denton, Texas 76203"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Pankaj","family":"Sinha","sequence":"additional","affiliation":[{"name":"Department of Chemistry, University of North Texas, P.O. Box 305070, Denton, Texas 76203"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Paul S.","family":"Bagus","sequence":"additional","affiliation":[{"name":"Department of Chemistry, University of North Texas, P.O. Box 305070, Denton, Texas 76203"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Angela K.","family":"Wilson","sequence":"additional","affiliation":[{"name":"Department of Chemistry, University of North Texas, P.O. Box 305070, Denton, Texas 76203"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"316","published-online":{"date-parts":[[2005,1,5]]},"reference":[{"key":"jp045143cb00001\/jp045143cb00001_1","doi-asserted-by":"crossref","first-page":"14228","DOI":"10.1021\/ja036508u","volume":"125","author":"Barakat K. A.","year":"2003","journal-title":"J. Am. Chem. Soc."},{"key":"jp045143cb00002\/jp045143cb00002_1","doi-asserted-by":"crossref","first-page":"4887","DOI":"10.1002\/1521-3765(20011119)7:22<4887::AID-CHEM4887>3.0.CO;2-C","volume":"7","author":"Zhang H.-X.","year":"2001","journal-title":"Chem.Eur. J."},{"key":"jp045143cb00003\/jp045143cb00003_1","doi-asserted-by":"crossref","first-page":"7287","DOI":"10.1021\/ja9942540","volume":"122","author":"Fernandez E. J.","year":"2000","journal-title":"J. Am. Chem. Soc."},{"key":"jp045143cb00004\/jp045143cb00004_1","doi-asserted-by":"crossref","first-page":"8853","DOI":"10.1021\/ic034978j","volume":"42","author":"Makedonas C.","year":"2003","journal-title":"Inorg. Chem."},{"key":"jp045143cb00005\/jp045143cb00005_1","first-page":"599","volume":"97","author":"For","year":"1997","journal-title":"Chem. Rev."},{"key":"jp045143cb00006\/jp045143cb00006_1","doi-asserted-by":"crossref","first-page":"2120","DOI":"10.1021\/ic00285a022","volume":"27","author":"Merz K. M.","year":"1988","journal-title":"Inorg. Chem."},{"key":"jp045143cb00006\/jp045143cb00006_2","doi-asserted-by":"crossref","first-page":"749","DOI":"10.1021\/ic00199a023","volume":"24","author":"Jiang Y.","year":"1985","journal-title":"Inorg. Chem."},{"key":"jp045143cb00006\/jp045143cb00006_3","doi-asserted-by":"crossref","first-page":"2187","DOI":"10.1021\/ic50186a032","volume":"17","author":"Mehrotra P. K.","year":"1978","journal-title":"Inorg. Chem."},{"key":"jp045143cb00006\/jp045143cb00006_4","doi-asserted-by":"crossref","first-page":"2074","DOI":"10.1021\/ja00475a017","volume":"100","author":"Dedieu A.","year":"1978","journal-title":"J. Am. Chem. Soc."},{"key":"jp045143cb00007\/jp045143cb00007_1","doi-asserted-by":"crossref","first-page":"11","DOI":"10.1007\/BF03214710","volume":"23","author":"Schmidbaur H.","year":"1990","journal-title":"Gold Bull."},{"key":"jp045143cb00007\/jp045143cb00007_2","doi-asserted-by":"crossref","first-page":"391","DOI":"10.1039\/cs9952400391","author":"Schmidbaur H.","year":"1995","journal-title":"Chem. Soc. Rev."},{"key":"jp045143cb00007\/jp045143cb00007_3","volume-title":"Comprehensive Organometallic Chemistry II","volume":"3","author":"Grohmann A.","year":"1995"},{"key":"jp045143cb00008\/jp045143cb00008_1","doi-asserted-by":"crossref","first-page":"133","DOI":"10.1016\/0009-2614(93)E1447-O","volume":"218","author":"Pyykk\u00f6 P.","year":"1994","journal-title":"Chem. Phys. Lett."},{"key":"jp045143cb00009\/jp045143cb00009_1","doi-asserted-by":"crossref","first-page":"1380","DOI":"10.1021\/ic970694l","volume":"37","author":"Omary M. A.","year":"1998","journal-title":"Inorg. Chem."},{"key":"jp045143cb00009\/jp045143cb00009_2","doi-asserted-by":"crossref","first-page":"2942","DOI":"10.1021\/ja963664a","volume":"119","author":"Singh K.","year":"1997","journal-title":"J. Am. Chem. Soc."},{"key":"jp045143cb00010\/jp045143cb00010_1","doi-asserted-by":"crossref","first-page":"376","DOI":"10.1016\/S0020-1693(02)00864-2","volume":"334","author":"Rawashdeh-Omary M. A.","year":"2002","journal-title":"Inorg. Chim. Acta"},{"key":"jp045143cb00011\/jp045143cb00011_1","doi-asserted-by":"crossref","first-page":"11379","DOI":"10.1021\/ja00104a018","volume":"116","author":"Clodfelter S. A.","year":"1994","journal-title":"J. Am. Chem. Soc."},{"key":"jp045143cb00011\/jp045143cb00011_2","doi-asserted-by":"crossref","first-page":"5931","DOI":"10.1021\/ja00225a071","volume":"110","author":"Nagle J. K.","year":"1988","journal-title":"J. Am. Chem. Soc."},{"key":"jp045143cb00012\/jp045143cb00012_1","doi-asserted-by":"crossref","first-page":"85","DOI":"10.1016\/S0010-8545(98)90015-7","volume":"171","author":"Pettijohn C. N.","year":"1998","journal-title":"Coord. Chem. Rev."},{"key":"jp045143cb00013\/jp045143cb00013_1","first-page":"15","volume":"12","author":"Nagle J. K.","year":"1999","journal-title":"Spectrum"},{"key":"jp045143cb00014\/jp045143cb00014_1","doi-asserted-by":"crossref","first-page":"7696","DOI":"10.1021\/ja980256t","volume":"120","author":"Omary M. A.","year":"1998","journal-title":"J. Am. Chem. Soc."},{"key":"jp045143cb00014\/jp045143cb00014_2","doi-asserted-by":"crossref","first-page":"1060","DOI":"10.1021\/ic970823y","volume":"37","author":"Omary M. A.","year":"1998","journal-title":"Inorg. Chem."},{"key":"jp045143cb00014\/jp045143cb00014_3","doi-asserted-by":"crossref","first-page":"3845","DOI":"10.1021\/jp990060v","volume":"103","author":"Omary M. A.","year":"1999","journal-title":"J. Phys. Chem. B"},{"key":"jp045143cb00015\/jp045143cb00015_1","doi-asserted-by":"crossref","first-page":"6143","DOI":"10.1021\/jp000563x","volume":"104","author":"Rawashdeh-Omary M. A.","year":"2000","journal-title":"J. Phys. Chem. B."},{"key":"jp045143cb00015\/jp045143cb00015_2","doi-asserted-by":"crossref","first-page":"227","DOI":"10.1016\/S0010-8545(00)00294-0","volume":"208","author":"Patterson H. H.","year":"2000","journal-title":"Coord. Chem. Rev."},{"key":"jp045143cb00016\/jp045143cb00016_1","doi-asserted-by":"crossref","first-page":"11237","DOI":"10.1021\/ja011176j","volume":"123","author":"Rawashdeh-Omary M. A.","year":"2001","journal-title":"J. Am. Chem. Soc."},{"key":"jp045143cb00017\/jp045143cb00017_1","doi-asserted-by":"crossref","first-page":"267","DOI":"10.1006\/jssc.2002.9721","volume":"168","author":"Fischer P.","year":"2002","journal-title":"J. Solid State Chem."},{"key":"jp045143cb00017\/jp045143cb00017_2","doi-asserted-by":"crossref","first-page":"10058","DOI":"10.1021\/jp0209594","volume":"106","author":"Hettiarachchi S. R.","year":"2002","journal-title":"J. Phys. Chem. B"},{"key":"jp045143cb00018\/jp045143cb00018_1","doi-asserted-by":"crossref","first-page":"6569","DOI":"10.1021\/ja00227a051","volume":"110","author":"Hollingsworth G.","year":"1988","journal-title":"J. Am. Chem. Soc."},{"key":"jp045143cb00019\/jp045143cb00019_1","doi-asserted-by":"crossref","first-page":"5701","DOI":"10.1021\/ja00171a004","volume":"112","author":"Barrie J. D.","year":"1990","journal-title":"J. Am. Chem. Soc."},{"key":"jp045143cb00019\/jp045143cb00019_2","doi-asserted-by":"crossref","first-page":"3958","DOI":"10.1021\/j100347a018","volume":"93","author":"Barrie J. D.","year":"1989","journal-title":"J. Phys. Chem."},{"key":"jp045143cb00020\/jp045143cb00020_1","doi-asserted-by":"crossref","first-page":"458","DOI":"10.1007\/BF01339140","volume":"106","author":"Mrozowski S.","year":"1937","journal-title":"Z. Phys."},{"key":"jp045143cb00021\/jp045143cb00021_1","doi-asserted-by":"crossref","first-page":"1872","DOI":"10.1063\/1.447860","volume":"81","author":"Celestino K. C.","year":"1984","journal-title":"J. Chem. Phys."},{"key":"jp045143cb00021\/jp045143cb00021_2","first-page":"933","volume":"33","author":"Houtermans F. G.","year":"1960","journal-title":"Helv. Phys. Acta"},{"key":"jp045143cb00022\/jp045143cb00022_1","doi-asserted-by":"crossref","first-page":"2176","DOI":"10.1021\/ic034066h","volume":"42","author":"Omary M. A.","year":"2003","journal-title":"Inorg. Chem."},{"key":"jp045143cb00022\/jp045143cb00022_2","doi-asserted-by":"crossref","first-page":"3737","DOI":"10.1021\/ja0166794","volume":"124","author":"Haneline M. R.","year":"2002","journal-title":"J. Am. Chem. Soc."},{"key":"jp045143cb00023\/jp045143cb00023_1","doi-asserted-by":"crossref","first-page":"12072","DOI":"10.1021\/ja036736o","volume":"125","author":"Dias H. V. R.","year":"2003","journal-title":"J. Am. Chem. Soc."},{"key":"jp045143cb00024\/jp045143cb00024_1","doi-asserted-by":"crossref","first-page":"6741","DOI":"10.1021\/ic0341946","volume":"42","author":"White-Morris R. L.","year":"2003","journal-title":"Inorg. Chem."},{"key":"jp045143cb00025\/jp045143cb00025_1","doi-asserted-by":"crossref","first-page":"323","DOI":"10.1039\/a804249g","volume":"28","author":"For","year":"1999","journal-title":"Chem. Soc. Rev."},{"key":"jp045143cb00026\/jp045143cb00026_1","volume-title":"S.","author":"For","year":"1999"},{"key":"jp045143cb00027\/jp045143cb00027_1","volume-title":"G. M.","author":"For","year":"1999"},{"key":"jp045143cb00028\/jp045143cb00028_1","doi-asserted-by":"crossref","first-page":"15","DOI":"10.1021\/cm00049a005","volume":"7","author":"Exstrom C. L.","year":"1995","journal-title":"Chem. Mater."},{"key":"jp045143cb00028\/jp045143cb00028_2","doi-asserted-by":"crossref","first-page":"363","DOI":"10.1021\/cm960397z","volume":"9","author":"Daws C. A.","year":"1997","journal-title":"Chem. Mater."},{"key":"jp045143cb00028\/jp045143cb00028_3","doi-asserted-by":"crossref","first-page":"1329","DOI":"10.1021\/ja973216i","volume":"120","author":"Mansour M. A.","year":"1998","journal-title":"J. Am. Chem. Soc."},{"key":"jp045143cb00029\/jp045143cb00029_1","volume-title":"K.","author":"For","year":"1999"},{"key":"jp045143cb00030\/jp045143cb00030_1","doi-asserted-by":"crossref","first-page":"3507","DOI":"10.1021\/jp992703c","volume":"104","author":"Kanan S. M.","year":"2000","journal-title":"J. Phys. Chem. B"},{"key":"jp045143cb00030\/jp045143cb00030_2","doi-asserted-by":"crossref","first-page":"125","DOI":"10.1163\/156856792X00092","volume":"17","author":"Centi G.","year":"1992","journal-title":"Res. Chem. Intermed."},{"key":"jp045143cb00031\/jp045143cb00031_1","doi-asserted-by":"crossref","first-page":"384","DOI":"10.1021\/ar00072a004","volume":"14","author":"Horrocks W.","year":"1981","journal-title":"Acc. Chem. Res."},{"key":"jp045143cb00031\/jp045143cb00031_2","doi-asserted-by":"crossref","first-page":"541","DOI":"10.1021\/cr00051a004","volume":"82","author":"Richardson F. S.","year":"1982","journal-title":"Chem. Rev."},{"key":"jp045143cb00031\/jp045143cb00031_3","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1002\/9780470166321.ch1","volume":"31","author":"Horrocks W.","year":"1984","journal-title":"Prog. Inorg. Chem."},{"key":"jp045143cb00032\/jp045143cb00032_1","doi-asserted-by":"crossref","first-page":"4101","DOI":"10.1002\/1099-0690(200111)2001:21<4101::AID-EJOC4101>3.0.CO;2-9","author":"Hebbink G. A.","year":"2001","journal-title":"Eur. J. Org. Chem."},{"key":"jp045143cb00032\/jp045143cb00032_2","doi-asserted-by":"crossref","first-page":"15","DOI":"10.1023\/A:1015350917540","volume":"12","author":"Piszczek G.","year":"2002","journal-title":"J. Fluoresc."},{"key":"jp045143cb00033\/jp045143cb00033_1","doi-asserted-by":"crossref","first-page":"704","DOI":"10.1126\/science.272.5262.704","volume":"272","author":"Sato O.","year":"1996","journal-title":"Science"},{"key":"jp045143cb00033\/jp045143cb00033_2","doi-asserted-by":"crossref","first-page":"678","DOI":"10.1021\/ic010915u","volume":"41","author":"Shimamoto N.","year":"2002","journal-title":"Inorg. Chem."},{"key":"jp045143cb00034\/jp045143cb00034_1","doi-asserted-by":"crossref","first-page":"14249","DOI":"10.1021\/jp035645a","volume":"107","author":"Hettiarachchi S. R.","year":"2003","journal-title":"J. Phys. Chem. B"},{"key":"jp045143cb00035\/jp045143cb00035_1","doi-asserted-by":"crossref","first-page":"9463","DOI":"10.1021\/jp971091y","volume":"101","author":"Dabbousi B. O.","year":"1997","journal-title":"J. Phys. Chem. B"},{"key":"jp045143cb00036\/jp045143cb00036_1","doi-asserted-by":"crossref","first-page":"1872","DOI":"10.1063\/1.447860","volume":"81","author":"Celestino K. C.","year":"1984","journal-title":"J. Chem. Phys."},{"key":"jp045143cb00036\/jp045143cb00036_2","first-page":"933","volume":"33","author":"Houtermans F. G.","year":"1960","journal-title":"Helv. Phys. Acta"},{"key":"jp045143cb00037\/jp045143cb00037_1","doi-asserted-by":"crossref","first-page":"49","DOI":"10.1016\/0030-4018(86)90115-X","volume":"60","author":"Cefalas A. C.","year":"1986","journal-title":"Opt. Commun."},{"key":"jp045143cb00038\/jp045143cb00038_1","doi-asserted-by":"crossref","first-page":"335","DOI":"10.1021\/cr00078a004","volume":"87","author":"For","year":"1987","journal-title":"Chem. Rev."},{"key":"jp045143cb00039\/jp045143cb00039_1","doi-asserted-by":"crossref","first-page":"5656","DOI":"10.1063\/1.433887","volume":"66","author":"Drullinger R. E.","year":"1977","journal-title":"J. Chem. Phys."},{"key":"jp045143cb00040\/jp045143cb00040_1","doi-asserted-by":"crossref","first-page":"458","DOI":"10.1007\/BF01339140","volume":"106","author":"Mrozowski S.","year":"1937","journal-title":"Z. Phys."},{"key":"jp045143cb00041\/jp045143cb00041_1","doi-asserted-by":"crossref","first-page":"1249","DOI":"10.1103\/PhysRev.93.1249","volume":"93","author":"McCoubrey A. O.","year":"1954","journal-title":"Phys. Rev."},{"key":"jp045143cb00042\/jp045143cb00042_1","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1016\/0301-0104(82)88127-5","volume":"69","author":"Callear B. A.","year":"1982","journal-title":"Chem. Phys."},{"key":"jp045143cb00042\/jp045143cb00042_2","doi-asserted-by":"crossref","first-page":"2483","DOI":"10.1103\/PhysRevA.34.2483","volume":"34","author":"Niefer R. J.","year":"1986","journal-title":"Phys. Rev. A"},{"key":"jp045143cb00043\/jp045143cb00043_1","doi-asserted-by":"crossref","first-page":"303","DOI":"10.1016\/0022-2852(78)90132-7","volume":"72","author":"Mies F. H.","year":"1978","journal-title":"J. Mol. Spectrosc."},{"key":"jp045143cb00043\/jp045143cb00043_2","doi-asserted-by":"crossref","first-page":"5667","DOI":"10.1063\/1.433888","volume":"66","author":"Smith E. W.","year":"1977","journal-title":"J. Chem. Phys."},{"key":"jp045143cb00044\/jp045143cb00044_1","volume-title":"\u201cphosphorescence","author":"Two"},{"key":"jp045143cb00045\/jp045143cb00045_1","doi-asserted-by":"crossref","first-page":"5545","DOI":"10.1063\/1.1351877","volume":"114","author":"Munro L. J.","year":"2001","journal-title":"J. Chem. Phys."},{"key":"jp045143cb00046\/jp045143cb00046_1","doi-asserted-by":"crossref","first-page":"6147","DOI":"10.1021\/jp952807x","volume":"100","author":"Flad H.-J.","year":"1996","journal-title":"J. Phys. Chem."},{"key":"jp045143cb00046\/jp045143cb00046_2","doi-asserted-by":"crossref","first-page":"6152","DOI":"10.1021\/jp952808p","volume":"100","author":"Flad H.-J.","year":"1996","journal-title":"J. Phys. Chem."},{"key":"jp045143cb00046\/jp045143cb00046_3","doi-asserted-by":"crossref","first-page":"2362","DOI":"10.1103\/PhysRevB.61.2362","volume":"61","author":"Wang Y.","year":"2000","journal-title":"Phys. Rev. B"},{"key":"jp045143cb00046\/jp045143cb00046_4","doi-asserted-by":"crossref","first-page":"197","DOI":"10.1016\/S1387-3806(00)00157-3","volume":"201","author":"Wang Y.","year":"2000","journal-title":"Int. J. Mass Spectrom."},{"key":"jp045143cb00046\/jp045143cb00046_5","doi-asserted-by":"crossref","first-page":"5121","DOI":"10.1039\/b105207c","volume":"3","author":"Hartke B.","year":"2001","journal-title":"Phys. Chem. Chem. Phys."},{"key":"jp045143cb00047\/jp045143cb00047_1","doi-asserted-by":"crossref","first-page":"7401","DOI":"10.1063\/1.1402163","volume":"115","author":"Schwerdtfeger P.","year":"2001","journal-title":"J. Chem. Phys."},{"key":"jp045143cb00047\/jp045143cb00047_2","doi-asserted-by":"crossref","first-page":"103401","DOI":"10.1103\/PhysRevLett.89.103401","volume":"89","author":"Moyano G. E.","year":"2002","journal-title":"Phys. Rev. Lett."},{"key":"jp045143cb00048\/jp045143cb00048_1","doi-asserted-by":"crossref","first-page":"277","DOI":"10.1016\/S0301-0104(96)00305-9","volume":"214","author":"Czuchaj E.","year":"1997","journal-title":"Chem. Phys."},{"key":"jp045143cb00049\/jp045143cb00049_1","doi-asserted-by":"crossref","first-page":"487","DOI":"10.1016\/0009-2614(92)85549-P","volume":"195","author":"Balasubramanian K.","year":"1992","journal-title":"Chem. Phys. Lett."},{"key":"jp045143cb00050\/jp045143cb00050_1","first-page":"35","volume":"14","author":"Cizek J.","year":"1969","journal-title":"Adv. Chem. Phys."},{"key":"jp045143cb00051\/jp045143cb00051_1","volume-title":"Int. J. Quantum Chem. Symp.","author":"Pople J. A.","year":"1976"},{"key":"jp045143cb00051\/jp045143cb00051_2","doi-asserted-by":"crossref","first-page":"618","DOI":"10.1103\/PhysRev.46.618","volume":"46","author":"M\u00f8ller C.","year":"1934","journal-title":"Phys. Rev."},{"key":"jp045143cb00052\/jp045143cb00052_1","volume-title":"Density-functional Theory of Atoms and Molecules","author":"Parr R. G.","year":"1989"},{"key":"jp045143cb00053\/jp045143cb00053_1","doi-asserted-by":"crossref","first-page":"5648","DOI":"10.1063\/1.464913","volume":"98","author":"Becke A. D.","year":"1993","journal-title":"J. Chem. Phys."},{"key":"jp045143cb00054\/jp045143cb00054_1","doi-asserted-by":"crossref","first-page":"5861","DOI":"10.1063\/1.434793","volume":"67","author":"Lee Y. S.","year":"1977","journal-title":"J. Chem. Phys."},{"key":"jp045143cb00055\/jp045143cb00055_1","volume-title":"Revision A.1","author":"Frisch M. J.","year":"2001"},{"key":"jp045143cb00056\/jp045143cb00056_1","doi-asserted-by":"crossref","first-page":"270","DOI":"10.1063\/1.448799","volume":"82","author":"Hay P. J.","year":"1985","journal-title":"J. Chem. Phys."},{"key":"jp045143cb00057\/jp045143cb00057_1","doi-asserted-by":"crossref","first-page":"1359","DOI":"10.1002\/(SICI)1096-987X(199608)17:11<1359::AID-JCC9>3.0.CO;2-L","volume":"17","author":"Couty M.","year":"1996","journal-title":"J. Comput. Chem."},{"key":"jp045143cb00058\/jp045143cb00058_1","doi-asserted-by":"crossref","first-page":"2664","DOI":"10.1063\/1.448263","volume":"82","author":"Fernandez-Pacios L.","year":"1985","journal-title":"J. Chem. Phys."},{"key":"jp045143cb00058\/jp045143cb00058_2","doi-asserted-by":"crossref","first-page":"6840","DOI":"10.1063\/1.450689","volume":"84","author":"Hurley M. M.","year":"1986","journal-title":"J. Chem. Phys."},{"key":"jp045143cb00058\/jp045143cb00058_3","doi-asserted-by":"crossref","first-page":"2812","DOI":"10.1063\/1.453069","volume":"87","author":"LaJohn L. A.","year":"1987","journal-title":"J. Chem. Phys."},{"key":"jp045143cb00058\/jp045143cb00058_4","doi-asserted-by":"crossref","first-page":"6654","DOI":"10.1063\/1.458934","volume":"93","author":"Ross R. B.","year":"1990","journal-title":"J. Chem. Phys."},{"key":"jp045143cb00058\/jp045143cb00058_5","doi-asserted-by":"crossref","first-page":"8145","DOI":"10.1063\/1.466809","volume":"100","author":"Ross R. B.","year":"1994","journal-title":"J. Chem. Phys."},{"key":"jp045143cb00058\/jp045143cb00058_6","doi-asserted-by":"crossref","first-page":"829","DOI":"10.1002\/qua.560400611","volume":"40","author":"Ermler W. C.","year":"1991","journal-title":"Int. J. Quantum Chem."},{"key":"jp045143cb00059\/jp045143cb00059_1","doi-asserted-by":"crossref","first-page":"3594","DOI":"10.1063\/1.448107","volume":"81","author":"Bagus P. S.","year":"1984","journal-title":"J. Chem. Phys."},{"key":"jp045143cb00060\/jp045143cb00060_1","doi-asserted-by":"crossref","volume-title":"Correlation consistent basis sets with relativistic effective core potentials. The transition metal elements Y and Hg","author":"Peterson K.","DOI":"10.1021\/bk-2007-0958.ch008"},{"key":"jp045143cb00061\/jp045143cb00061_1","doi-asserted-by":"crossref","first-page":"1211","DOI":"10.1080\/00268979300100801","volume":"78","author":"Hausserman U.","year":"1993","journal-title":"Mol. Phys."},{"key":"jp045143cb00062\/jp045143cb00062_1","doi-asserted-by":"crossref","first-page":"1007","DOI":"10.1063\/1.456153","volume":"90","author":"Dunning T. H., Jr.","year":"1989","journal-title":"J. Chem. Phys."},{"key":"jp045143cb00063\/jp045143cb00063_1","volume":"96","author":"The","year":"1992","journal-title":"J. Chem. Phys."},{"key":"jp045143cb00064\/jp045143cb00064_1","doi-asserted-by":"crossref","first-page":"721","DOI":"10.1103\/PhysRev.41.721","volume":"41","author":"Dunham J. L.","year":"1932","journal-title":"Phys. Rev."},{"key":"jp045143cb00065\/jp045143cb00065_1","volume-title":"Atomic Energy Levels","author":"Moore C. E.","year":"1958"},{"key":"jp045143cb00066\/jp045143cb00066_1","volume-title":"The Theory of Atomic Spectra","author":"Condon E. U.","year":"1951"},{"key":"jp045143cb00067\/jp045143cb00067_1","doi-asserted-by":"crossref","first-page":"175","DOI":"10.1016\/0009-2614(94)01027-7","volume":"229","author":"Kristy\u00e1n S.","year":"1994","journal-title":"Chem. Phys. Lett."},{"key":"jp045143cb00068\/jp045143cb00068_1","doi-asserted-by":"crossref","first-page":"211","DOI":"10.1007\/s00214-003-0479-6","volume":"110","author":"Persson J.","year":"2003","journal-title":"Theor. Chem. Acc."},{"key":"jp045143cb00069\/jp045143cb00069_1","doi-asserted-by":"crossref","first-page":"553","DOI":"10.1080\/00268977000101561","volume":"19","author":"Boys S. F.","year":"1970","journal-title":"Mol. Phys."},{"key":"jp045143cb00070\/jp045143cb00070_1","doi-asserted-by":"crossref","DOI":"10.1016\/S0065-3276(08)60185-9","volume-title":"The Effect of Basis Set Superposition Error (BSSE) on the Convergence of Molecular Properties Calculated with the Correlation Consistent Basis Sets","author":"van Mourik T.","year":"1998"},{"key":"jp045143cb00071\/jp045143cb00071_1","volume-title":"S. P.","author":"See","year":"1969"},{"key":"jp045143cb00073\/jp045143cb00073_1","volume-title":"Molecular Spectra and Molecular Structure","author":"Herzberg G.","year":"1950"},{"key":"jp045143cb00074\/jp045143cb00074_1","doi-asserted-by":"crossref","first-page":"1486","DOI":"10.1103\/PhysRevA.15.1486","volume":"15","author":"Bagus P. S.","year":"1977","journal-title":"Phys. Rev. A"},{"key":"jp045143cb00076\/jp045143cb00076_1","doi-asserted-by":"crossref","first-page":"401","DOI":"10.1016\/0009-2614(79)80541-2","volume":"64","author":"Callear A. B.","year":"1979","journal-title":"Chem. Phys. Lett."},{"key":"jp045143cb00077\/jp045143cb00077_1","doi-asserted-by":"crossref","first-page":"2325","DOI":"10.1088\/0953-4075\/28\/12\/004","volume":"28","author":"Ba\u015ftu\u01e7 T.","year":"1995","journal-title":"J. Phys. B"},{"key":"jp045143cb00078\/jp045143cb00078_1","doi-asserted-by":"crossref","first-page":"181","DOI":"10.1006\/jmsp.1997.7491","volume":"187","author":"Koperski J.","year":"1998","journal-title":"J. Mol. Spectrosc."},{"key":"jp045143cb00079\/jp045143cb00079_1","doi-asserted-by":"crossref","first-page":"425","DOI":"10.1080\/002689796173804","volume":"89","author":"Burda J. V.","year":"1996","journal-title":"Mol. Phys."},{"key":"jp045143cb00080\/jp045143cb00080_1","doi-asserted-by":"crossref","first-page":"1380","DOI":"10.1021\/ic970694l","volume":"37","author":"Table","year":"1998","journal-title":"Inorg. Chem."},{"key":"jp045143cb00081\/jp045143cb00081_1","doi-asserted-by":"crossref","first-page":"1831","DOI":"10.1088\/0022-3727\/13\/10\/011","volume":"13","author":"Cabaud B.","year":"1980","journal-title":"J. Phys. D"},{"key":"jp045143cb00082\/jp045143cb00082_1","doi-asserted-by":"crossref","first-page":"139","DOI":"10.1016\/0009-2614(71)80598-5","volume":"8","author":"Butchard J. A.","year":"1971","journal-title":"Chem. Phys. Lett."},{"key":"jp045143cb00083\/jp045143cb00083_1","doi-asserted-by":"crossref","first-page":"177","DOI":"10.1016\/S0022-328X(97)00049-1","volume":"541","author":"Vogler A.","year":"1997","journal-title":"J. Organomet. Chem."},{"key":"jp045143cb00084\/jp045143cb00084_1","doi-asserted-by":"crossref","first-page":"3173","DOI":"10.1039\/B410657A","author":"Elbjeirami O.","year":"2004","journal-title":"Dalton Trans."},{"key":"jp045143cb00085\/jp045143cb00085_1","doi-asserted-by":"crossref","first-page":"1317","DOI":"10.1039\/B301371P","volume":"12","author":"Coppens P.","year":"2003","journal-title":"Chem. Commun."},{"key":"jp045143cb00086\/jp045143cb00086_1","doi-asserted-by":"crossref","first-page":"47403","DOI":"10.1103\/PhysRevLett.90.047403","volume":"90","author":"Saes M.","year":"2003","journal-title":"Phys. Rev. Lett."},{"key":"jp045143cb00087\/jp045143cb00087_1","volume-title":"J. I.","volume":"16","author":"For","year":"1991"},{"key":"jp045143cb00088\/jp045143cb00088_1","doi-asserted-by":"crossref","first-page":"4650","DOI":"10.1063\/1.453777","volume":"88","author":"van Zee R. D.","year":"1988","journal-title":"J. Chem. Phys."},{"key":"jp045143cb00090\/jp045143cb00090_1","doi-asserted-by":"crossref","first-page":"386","DOI":"10.1016\/S0009-2614(01)00203-2","volume":"337","author":"Ceccherini S.","year":"2001","journal-title":"Chem. Phys. Lett."},{"key":"jp045143cb00091\/jp045143cb00091_1","doi-asserted-by":"crossref","first-page":"6565","DOI":"10.1063\/1.452401","volume":"86","author":"Zehnacker A.","year":"1987","journal-title":"J. Chem. Phys."},{"key":"jp045143cb00092\/jp045143cb00092_1","doi-asserted-by":"crossref","first-page":"161","DOI":"10.1016\/0009-2614(94)87039-X","volume":"219","author":"Koperski J.","year":"1994","journal-title":"Chem. Phys. Lett."},{"key":"jp045143cb00093\/jp045143cb00093_1","doi-asserted-by":"crossref","first-page":"1070","DOI":"10.1139\/p94-139","volume":"72","author":"Koperski J.","year":"1994","journal-title":"Can. J. Phys."}],"container-title":["The Journal of Physical Chemistry A"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/jp045143c","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2024,1,21]],"date-time":"2024-01-21T06:46:24Z","timestamp":1705819584000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/jp045143c"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2005,1,5]]},"references-count":125,"journal-issue":{"issue":"4","published-print":{"date-parts":[[2005,2,1]]}},"alternative-id":["10.1021\/jp045143c"],"URL":"https:\/\/doi.org\/10.1021\/jp045143c","relation":{},"ISSN":["1089-5639","1520-5215"],"issn-type":[{"value":"1089-5639","type":"print"},{"value":"1520-5215","type":"electronic"}],"subject":[],"published":{"date-parts":[[2005,1,5]]}}}