{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,1]],"date-time":"2026-07-01T22:15:15Z","timestamp":1782944115659,"version":"3.54.5"},"reference-count":66,"publisher":"Royal Society of Chemistry (RSC)","issue":"3","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Dalton Trans."],"DOI":"10.1039\/b915766b","type":"journal-article","created":{"date-parts":[[2009,11,20]],"date-time":"2009-11-20T10:00:13Z","timestamp":1258711213000},"page":"874-882","source":"Crossref","is-referenced-by-count":6,"title":["Reactivity of a rhenium hydroxo\u2013carbonyl complex toward carbon disulfide: insights from theory"],"prefix":"10.1039","volume":"39","author":[{"given":"Violeta","family":"Yeguas","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Pablo","family":"Campomanes","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ram\u00f3n","family":"L\u00f3pez","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"292","published-online":{"date-parts":[[2010]]},"reference":[{"key":"B915766B-(cit1)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"339","DOI":"10.1016\/S0065-3055(08)60117-3","volume":"28","author":"Bottomley","year":"1988","journal-title":"Adv. Organomet. Chem."},{"key":"B915766B-(cit2)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"1163","DOI":"10.1021\/cr00089a009","volume":"88","author":"Bryndza","year":"1988","journal-title":"Chem. Rev."},{"key":"B915766B-(cit3)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"153","DOI":"10.1002\/prot.340090302","volume":"9","author":"Whitlow","year":"1991","journal-title":"Proteins: Struct., Funct., Genet."},{"key":"B915766B-(cit4)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"335","DOI":"10.1016\/0022-2836(91)90569-R","volume":"219","author":"Ludwig","year":"1991","journal-title":"J. Mol. Biol."},{"key":"B915766B-(cit5)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"895","DOI":"10.1021\/cr00028a003","volume":"94","author":"Gilje","year":"1994","journal-title":"Chem. Rev."},{"key":"B915766B-(cit6)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"699","DOI":"10.1021\/cr00027a007","volume":"94","author":"Katsuki","year":"1994","journal-title":"Chem. Rev."},{"key":"B915766B-(cit7)\/*[position()=1]","volume-title":"Comprehensive Organometallic Chemistry II","author":"Jacobsen","year":"1995","unstructured":"E. N.Jacobsen, in Comprehensive Organometallic Chemistry II, ed. G. Wilkinson, F. G. A.Stone, E. W.Abeland L. S.Hegedus, Pergamon, New York, 1995"},{"key":"B915766B-(cit8)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"64","DOI":"10.1016\/S0022-328X(99)00539-2","volume":"596","author":"Morales","year":"2000","journal-title":"J. Organomet. Chem."},{"key":"B915766B-(cit9)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"1136","DOI":"10.1021\/ja016741x","volume":"124","author":"Gupta","year":"2002","journal-title":"J. Am. Chem. Soc."},{"key":"B915766B-(cit10)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"3947","DOI":"10.1021\/cr020443g","volume":"104","author":"Meunier","year":"2004","journal-title":"Chem. Rev."},{"key":"B915766B-(cit11)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"7743","DOI":"10.1021\/ic0401086","volume":"44","author":"Mah\u00e9","year":"2005","journal-title":"Inorg. Chem."},{"key":"B915766B-(cit12)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"3813","DOI":"10.1021\/cr050203b","volume":"106","author":"Roesky","year":"2006","journal-title":"Chem. Rev."},{"key":"B915766B-(cit13)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"44","DOI":"10.1021\/ar000132x","volume":"35","author":"Fulton","year":"2002","journal-title":"Acc. Chem. Res."},{"key":"B915766B-(cit14)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"11200","DOI":"10.1021\/ja982284h","volume":"120","author":"Gibson","year":"1998","journal-title":"J. Am. Chem. Soc."},{"key":"B915766B-(cit15)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"4934","DOI":"10.1021\/om0203882","volume":"21","author":"Morales","year":"2002","journal-title":"Organometallics"},{"key":"B915766B-(cit16)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"337","DOI":"10.1021\/om020677q","volume":"22","author":"Gibson","year":"2003","journal-title":"Organometallics"},{"key":"B915766B-(cit17)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"13234","DOI":"10.1021\/ja030149l","volume":"125","author":"Gupta","year":"2003","journal-title":"J. Am. Chem. Soc."},{"key":"B915766B-(cit18)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"328","DOI":"10.1039\/b210860g","author":"Gerbino","year":"2003","journal-title":"Chem. Commun."},{"key":"B915766B-(cit19)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"1321","DOI":"10.1016\/S0277-5387(03)00102-5","volume":"22","author":"Heard","year":"2003","journal-title":"Polyhedron"},{"key":"B915766B-(cit20)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"1738","DOI":"10.1021\/om0342558","volume":"23","author":"Breno","year":"2004","journal-title":"Organometallics"},{"key":"B915766B-(cit21)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"1765","DOI":"10.1002\/chem.200305577","volume":"10","author":"Cuesta","year":"2004","journal-title":"Chem.\u2013Eur. J."},{"key":"B915766B-(cit22)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"1717","DOI":"10.1021\/om051081g","volume":"25","author":"Cuesta","year":"2006","journal-title":"Organometallics"},{"key":"B915766B-(cit23)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"211","DOI":"10.1016\/S0010-8545(00)00375-1","volume":"213","author":"Kuwata","year":"2001","journal-title":"Coord. Chem. Rev."},{"key":"B915766B-(cit24)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"2342","DOI":"10.1021\/om00005a035","volume":"14","author":"Bianchini","year":"1995","journal-title":"Organometallics"},{"key":"B915766B-(cit25)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"801","DOI":"10.1039\/dt9960000801","author":"Bianchini","year":"1996","journal-title":"J. Chem. Soc., Dalton Trans."},{"key":"B915766B-(cit26)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"2179","DOI":"10.1021\/ja00113a007","volume":"117","author":"Garcia","year":"1995","journal-title":"J. Am. Chem. Soc."},{"key":"B915766B-(cit27)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"287","DOI":"10.1016\/0304-5102(93)E0159-E","volume":"86","author":"S\u00e1nchez-Delgado","year":"1994","journal-title":"J. Mol. Catal."},{"key":"B915766B-(cit28)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"641","DOI":"10.1006\/jcat.1993.1056","volume":"139","author":"Tops\u00f8e","year":"1993","journal-title":"J. Catal."},{"key":"B915766B-(cit29)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"2067","DOI":"10.1021\/om9800086","volume":"17","author":"Zhang","year":"1998","journal-title":"Organometallics"},{"key":"B915766B-(cit30)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"25","DOI":"10.1039\/cs9962500025","volume":"25","author":"Collison","year":"1996","journal-title":"Chem. Soc. Rev."},{"key":"B915766B-(cit31)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"165","DOI":"10.1039\/a607136h","author":"Dance","year":"1997","journal-title":"Chem. Commun."},{"key":"B915766B-(cit32)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1016\/S0898-8838(08)60181-6","volume":"40","author":"Enemark","year":"1993","journal-title":"Adv. Inorg. Chem."},{"key":"B915766B-(cit33)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"2757","DOI":"10.1021\/cr950061t","volume":"96","author":"Hille","year":"1996","journal-title":"Chem. Rev."},{"key":"B915766B-(cit34)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"4963","DOI":"10.1021\/ic990154j","volume":"38","author":"Jones","year":"1999","journal-title":"Inorg. Chem."},{"key":"B915766B-(cit35)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"12391","DOI":"10.1021\/ja962197u","volume":"118","author":"Koehler","year":"1996","journal-title":"J. Am. Chem. Soc."},{"key":"B915766B-(cit36)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"10559","DOI":"10.1021\/ja981223g","volume":"120","author":"Nishibayashi","year":"1998","journal-title":"J. Am. Chem. Soc."},{"key":"B915766B-(cit37)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"3915","DOI":"10.1039\/a704936f","author":"Stiefel","year":"1997","journal-title":"J. Chem. Soc., Dalton Trans."},{"key":"B915766B-(cit38)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"4510","DOI":"10.1002\/1521-3765(20021004)8:19<4510::AID-CHEM4510>3.0.CO;2-L","volume":"8","author":"Hevia","year":"2002","journal-title":"Chem.\u2013Eur. J."},{"key":"B915766B-(cit39)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"355","DOI":"10.1007\/s008940050094","volume":"4","author":"Hartmann","year":"1998","journal-title":"J. Mol. Model."},{"key":"B915766B-(cit40)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"30","DOI":"10.1021\/ar00145a005","volume":"21","author":"Silvermann","year":"1988","journal-title":"Acc. Chem. Res."},{"key":"B915766B-(cit41)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"299","DOI":"10.1002\/qua.560360313","volume":"36","author":"Liang","year":"1989","journal-title":"Int. J. Quantum Chem."},{"key":"B915766B-(cit42)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"5271","DOI":"10.1021\/om0702431","volume":"26","author":"Yeguas","year":"2007","journal-title":"Organometallics"},{"key":"B915766B-(cit43)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"647","DOI":"10.1039\/b001149p","author":"Br\u00e4uer","year":"2000","journal-title":"Chem. Commun."},{"key":"B915766B-(cit44)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"193","DOI":"10.1007\/s00214-007-0274-x","volume":"118","author":"Miscione","year":"2007","journal-title":"Theor. Chem. Acc."},{"key":"B915766B-(cit45)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"3098","DOI":"10.1103\/PhysRevA.38.3098","volume":"38","author":"Becke","year":"1988","journal-title":"Phys. Rev. A: At., Mol., Opt. Phys."},{"key":"B915766B-(cit46)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"1040","DOI":"10.1063\/1.470829","volume":"104","author":"Becke","year":"1996","journal-title":"J. Chem. Phys."},{"key":"B915766B-(cit47)\/*[position()=1]","volume-title":"Unified Theory of Exchange and Correlation Beyond the Local Density Approximation","author":"Perdew","year":"1991","unstructured":"J. P.Perdew, in Unified Theory of Exchange and Correlation Beyond the Local Density Approximation, ed. P. Ziesche and H. Eschig, Akademia Verlag, Berlin, 1991"},{"key":"B915766B-(cit48)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"364","DOI":"10.1021\/ct0502763","volume":"2","author":"Zhao","year":"2006","journal-title":"J. Chem. Theory Comput."},{"key":"B915766B-(cit49)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"146401","DOI":"10.1103\/PhysRevLett.91.146401","volume":"91","author":"Tao","year":"2003","journal-title":"Phys. Rev. Lett."},{"key":"B915766B-(cit50)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"12129","DOI":"10.1063\/1.1626543","volume":"119","author":"Staroverov","year":"2003","journal-title":"J. Chem. Phys."},{"key":"B915766B-(cit51)\/*[position()=1]","volume-title":"\u2018Gaussian03\u2032","author":"Frisch","year":"2004","unstructured":"M. J.Frisch, G. W.Trucks, H. B.Schlegel, G. E.Scuseria, M. A.Robb, J. R.Cheeseman, J. A. J.Montgomery, T.Vreven, K. N.Kudin, J. C.Burant, J. M.Millam, S. S.Iyengar, J.Tomasi, V.Barone, B.Mennucci, M.Cossi, G.Scalmani, N.Rega, G. A.Petersson, H.Nakatsuji, M.Hada, M.Ehara, K.Toyota, R.Fukuda, J.Hasegawa, M.Ishida, T.Nakajima, Y.Honda, O.Kitao, H.Nakai, H. M.Klene, X.Li, J. E.Knox, H. P.Hratchian, J. B.Cross, V.Bakken, C.Adamo, J.Jaramillo, J. R.Gomperts, R. E.Stratmann, O.Yazyev, A. J.Austin, R.Cammi, C.Pomelli, J. W.Ochterski, P. Y.Ayala, K.Morokuma, G. A.Voth, P.Salvado, J. J.Dannenberg, V. G.Zakrzewski, S.Dapprich, A. D.Daniels, M. C.Strain, O.Farkas, D. K.Rabuck, K.Raghavachari, J. B.Foresman, J. V.Ortiz, Q.Cui, A. G.Baboul, S.Clifford, J.Cioslowski, B. B.Stefanov, G.Liu, A.Liashenko, P.Piskorz, I.Komaromi, R. L.Martin, D. J.Fox, T.Keith, M. A.Al-Laham, C. Y.Peng, A.Nanayakkara, M.Challacombe, P. M. W.Gill, B.Johnson, W.Chen, M. W.Wong, C.Gonzalez, and J. A.Pople, \u2018Gaussian03\u2032, Wallingford CT, 2004"},{"key":"B915766B-(cit52)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"5648","DOI":"10.1063\/1.464913","volume":"98","author":"Becke","year":"1993","journal-title":"J. Chem. Phys."},{"key":"B915766B-(cit53)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"785","DOI":"10.1103\/PhysRevB.37.785","volume":"37","author":"Lee","year":"1988","journal-title":"Phys. Rev. B: Condens. Matter"},{"key":"B915766B-(cit54)\/*[position()=1]","volume-title":"Ab Initio Molecular Orbital Theory","author":"Hehre","year":"1986","unstructured":"W. J.Hehre, L.Radom, J. A.Pople, and P. v. R.Schleyer, Ab Initio Molecular Orbital Theory, Wiley-Interscience, New York, 1986"},{"key":"B915766B-(cit55)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"111","DOI":"10.1016\/0009-2614(93)80086-5","volume":"208","author":"Ehlers","year":"1993","journal-title":"Chem. Phys. Lett."},{"key":"B915766B-(cit56)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"299","DOI":"10.1063\/1.448975","volume":"82","author":"Hay","year":"1985","journal-title":"J. Chem. Phys."},{"key":"B915766B-(cit57)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"214","DOI":"10.1002\/jcc.540030212","volume":"3","author":"Schlegel","year":"1982","journal-title":"J. Comput. Chem."},{"key":"B915766B-(cit58)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"2154","DOI":"10.1063\/1.456010","volume":"90","author":"Gonzalez","year":"1989","journal-title":"J. Chem. Phys."},{"key":"B915766B-(cit59)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"5523","DOI":"10.1021\/j100377a021","volume":"94","author":"Gonzalez","year":"1990","journal-title":"J. Phys. Chem."},{"key":"B915766B-(cit60)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"203","DOI":"10.1039\/b419105f","volume":"102","author":"Harvey","year":"2006","journal-title":"Annu. Rep. Prog. Chem., Sect. C"},{"key":"B915766B-(cit61)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"024103","DOI":"10.1063\/1.2747249","volume":"127","author":"Paier","year":"2007","journal-title":"J. Chem. Phys."},{"key":"B915766B-(cit62)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"10439","DOI":"10.1021\/jp0734474","volume":"111","author":"Sousa","year":"2007","journal-title":"J. Phys. Chem. A"},{"key":"B915766B-(cit63)\/*[position()=1]","volume-title":"Statistical Mechanics","author":"McQuarrie","year":"1976","unstructured":"D. A.McQuarrie, Statistical Mechanics, Harper and Row, New York, 1976"},{"key":"B915766B-(cit64)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"1449","DOI":"10.1002\/jcc.540161202","volume":"16","author":"Tomasi","year":"1995","journal-title":"J. Comput. Chem."},{"key":"B915766B-(cit65)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"2027","DOI":"10.1021\/cr00031a013","volume":"94","author":"Tomasi","year":"1994","journal-title":"Chem. Rev."},{"key":"B915766B-(cit66)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"3210","DOI":"10.1063\/1.474671","volume":"107","author":"Barone","year":"1997","journal-title":"J. Chem. Phys."}],"container-title":["Dalton Trans."],"original-title":[],"language":"en","link":[{"URL":"http:\/\/pubs.rsc.org\/en\/content\/articlepdf\/2010\/DT\/B915766B","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,7,1]],"date-time":"2026-07-01T21:38:49Z","timestamp":1782941929000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.rsc.org\/dt\/article\/39\/3\/874-882\/318336"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2010]]},"references-count":66,"journal-issue":{"issue":"3","published-print":{"date-parts":[[2010]]}},"URL":"https:\/\/doi.org\/10.1039\/b915766b","relation":{},"ISSN":["1477-9226","1477-9234"],"issn-type":[{"value":"1477-9226","type":"print"},{"value":"1477-9234","type":"electronic"}],"subject":[],"published":{"date-parts":[[2010]]}}}