{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2023,9,13]],"date-time":"2023-09-13T21:35:56Z","timestamp":1694640956065},"reference-count":55,"publisher":"American Chemical Society (ACS)","issue":"31","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Phys. Chem. A"],"published-print":{"date-parts":[[2011,8,11]]},"DOI":"10.1021\/jp2019928","type":"journal-article","created":{"date-parts":[[2011,6,27]],"date-time":"2011-06-27T19:08:40Z","timestamp":1309201720000},"page":"8713-8720","source":"Crossref","is-referenced-by-count":4,"title":["About the Barriers to Reaction of CCl<sub>4<\/sub> with HFeOH and FeCl<sub>2<\/sub>"],"prefix":"10.1021","volume":"115","author":[{"given":"Bojana","family":"Ginovska-Pangovska","sequence":"first","affiliation":[{"name":"Chemical and Materials Sciences Division, Fundamental and Computational Sciences Directorate, Pacific Northwest National Laboratory, PO Box 999, Richland, Washington 99352, United States"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Donald M.","family":"Camaioni","sequence":"additional","affiliation":[{"name":"Chemical and Materials Sciences Division, Fundamental and Computational Sciences Directorate, Pacific Northwest National Laboratory, PO Box 999, Richland, Washington 99352, United States"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Michel","family":"Dupuis","sequence":"additional","affiliation":[{"name":"Chemical and Materials Sciences Division, Fundamental and Computational Sciences Directorate, Pacific Northwest National Laboratory, PO Box 999, Richland, Washington 99352, United States"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"316","published-online":{"date-parts":[[2011,7,14]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"crossref","first-page":"44","DOI":"10.1016\/S1748-0132(06)70048-2","volume":"1","author":"Tratnyek P. G.","year":"2006","journal-title":"Nano Today"},{"key":"ref2\/cit2","doi-asserted-by":"crossref","first-page":"17136","DOI":"10.1021\/jp103896k","volume":"114","author":"Parkinson G. S.","year":"2010","journal-title":"J. Phys. Chem. C"},{"key":"ref3\/cit3","doi-asserted-by":"crossref","first-page":"1818","DOI":"10.1021\/jp8076062","volume":"113","author":"Parkinson G. S.","year":"2009","journal-title":"J. Phys. Chem. C"},{"key":"ref4\/cit4","doi-asserted-by":"crossref","first-page":"1830","DOI":"10.1021\/jp807604f","volume":"113","author":"Camaioni D. M.","year":"2009","journal-title":"J. Phys. Chem. C"},{"key":"ref5\/cit5","doi-asserted-by":"crossref","first-page":"5241","DOI":"10.1021\/om8005189","volume":"27","author":"Cho H.-G.","year":"2008","journal-title":"Organometallics"},{"key":"ref6\/cit6","doi-asserted-by":"crossref","first-page":"4960","DOI":"10.1021\/jp810143y","volume":"113","author":"Parkinson G. S.","year":"2009","journal-title":"J. Phys. Chem. C"},{"key":"ref7\/cit7","doi-asserted-by":"crossref","first-page":"947","DOI":"10.1039\/j29680000947","author":"Asscher M.","year":"1968","journal-title":"J. Chem. Soc. B"},{"key":"ref8\/cit8","doi-asserted-by":"crossref","first-page":"172","DOI":"10.1007\/BF01393538","volume":"3","author":"Wilputte-Steinert L.","year":"1978","journal-title":"Transition Met. Chem."},{"key":"ref9\/cit9","doi-asserted-by":"crossref","first-page":"1847","DOI":"10.1039\/p29930001847","author":"Cornia A.","year":"1993","journal-title":"J. Chem. Soc., Perkin Trans. 2"},{"key":"ref10\/cit10","doi-asserted-by":"crossref","first-page":"7460","DOI":"10.1021\/jp011324s","volume":"105","author":"Mebel A. M.","year":"2001","journal-title":"J. Phys. Chem. A"},{"key":"ref11\/cit11","doi-asserted-by":"crossref","first-page":"6998","DOI":"10.1021\/jp010914n","volume":"105","author":"Zhang L.","year":"2001","journal-title":"J. Phys. Chem. A"},{"key":"ref12\/cit12","doi-asserted-by":"crossref","first-page":"291","DOI":"10.1016\/j.chemphys.2005.03.014","volume":"314","author":"Gutsev G. L.","year":"2005","journal-title":"Chem. Phys."},{"key":"ref13\/cit13","doi-asserted-by":"crossref","first-page":"265","DOI":"10.1016\/0304-4173(85)90014-X","volume":"811","author":"Marcus R. A.","year":"1985","journal-title":"Biochim. Biophys. Acta"},{"key":"ref14\/cit14a","doi-asserted-by":"crossref","first-page":"155","DOI":"10.1146\/annurev.pc.15.100164.001103","volume":"15","author":"Marcus R. A.","year":"1964","journal-title":"Annu. Rev. Phys. Chem."},{"key":"ref14\/cit14a1","doi-asserted-by":"crossref","first-page":"679","DOI":"10.1063\/1.1696792","volume":"43","author":"Marcus R. A.","year":"1965","journal-title":"J. Chem. Phys."},{"key":"ref15\/cit15","doi-asserted-by":"crossref","first-page":"557","DOI":"10.1039\/tf9615700557","volume":"57","author":"Hush N.","year":"1961","journal-title":"Trans. Faraday Soc."},{"key":"ref16\/cit16","doi-asserted-by":"crossref","first-page":"7047","DOI":"10.1021\/jp990039u","volume":"103","author":"Blowers P.","year":"1999","journal-title":"J. Phys. Chem. A"},{"key":"ref17\/cit17a","doi-asserted-by":"crossref","first-page":"891","DOI":"10.1021\/j100849a019","volume":"72","author":"Marcus R. A.","year":"1968","journal-title":"J. Phys. Chem."},{"key":"ref17\/cit17b","doi-asserted-by":"crossref","first-page":"4249","DOI":"10.1021\/j100858a052","volume":"72","author":"Cohen A. O.","year":"1968","journal-title":"J. Phys. Chem."},{"key":"ref18\/cit18a","doi-asserted-by":"crossref","first-page":"36","DOI":"10.1021\/ar100093z","volume":"44","author":"Mayer J. M.","year":"2010","journal-title":"Acc. Chem. Res."},{"key":"ref18\/cit18b","doi-asserted-by":"crossref","first-page":"5282","DOI":"10.1073\/pnas.0910347107","volume":"107","author":"Warren J. J.","year":"2010","journal-title":"Proc. Natl. Acad. Sci. U.S.A."},{"key":"ref19\/cit19","doi-asserted-by":"crossref","first-page":"1225","DOI":"10.1021\/ja00004a024","volume":"113","author":"Schwarz C. L.","year":"1991","journal-title":"J. Am. Chem. Soc."},{"key":"ref20\/cit20","doi-asserted-by":"crossref","first-page":"4572","DOI":"10.1021\/ic00122a012","volume":"34","author":"Schwarz C. L.","year":"1995","journal-title":"Inorg. Chem."},{"key":"ref21\/cit21","doi-asserted-by":"crossref","first-page":"2882","DOI":"10.1021\/ic00264a033","volume":"26","author":"Smith T. P.","year":"1987","journal-title":"Inorg. Chem."},{"key":"ref22\/cit22a","doi-asserted-by":"crossref","first-page":"276","DOI":"10.1002\/jcc.540120219","volume":"12","author":"Farazdel A.","year":"1990","journal-title":"J. Comput. Chem."},{"key":"ref22\/cit22b","doi-asserted-by":"crossref","first-page":"4206","DOI":"10.1021\/ja00167a016","volume":"112","author":"Farazdel A.","year":"1990","journal-title":"J. Am. Chem. Soc."},{"key":"ref23\/cit23","doi-asserted-by":"crossref","first-page":"12197","DOI":"10.1063\/1.1814932","volume":"121","author":"Hirata S.","year":"2004","journal-title":"J. Chem. Phys."},{"key":"ref24\/cit24","doi-asserted-by":"crossref","first-page":"074319","DOI":"10.1063\/1.2001656","volume":"123","author":"Kowalski K.","year":"2005","journal-title":"J. Chem. Phys."},{"key":"ref25\/cit25","doi-asserted-by":"crossref","first-page":"7029","DOI":"10.1063\/1.464746","volume":"98","author":"Stanton J. F.","year":"1993","journal-title":"J. Chem. Phys."},{"key":"ref26\/cit26","unstructured":"Frisch, M. J.;Gaussian 98;Gaussian, Inc.:Pittsburgh, PA, 1998."},{"key":"ref27\/cit27","unstructured":"Frisch, M. J.;Gaussian 09, revision A.01;Gaussian, Inc.:Pittsburgh, PA, 2009."},{"key":"ref28\/cit28a","unstructured":"Bylaska, E. J.;NWChem, A Computational Chemistry Package for Parallel Computers, version 5.1.1;Pacific Northwest National Laboratory:Richland, WA, 2009."},{"key":"ref28\/cit28b","doi-asserted-by":"crossref","first-page":"260","DOI":"10.1016\/S0010-4655(00)00065-5","volume":"128","author":"Kendall R. A.","year":"2000","journal-title":"Comput. Phys. Commun."},{"key":"ref29\/cit29","doi-asserted-by":"crossref","first-page":"B864","DOI":"10.1103\/PhysRev.136.B864","volume":"136","author":"Hohenberg P.","year":"1964","journal-title":"Phys. Rev."},{"key":"ref30\/cit30","doi-asserted-by":"crossref","first-page":"A1133","DOI":"10.1103\/PhysRev.140.A1133","volume":"140","author":"Kohn W.","year":"1965","journal-title":"J. Phys. Rev."},{"key":"ref31\/cit31a","doi-asserted-by":"crossref","first-page":"1223","DOI":"10.1063\/1.476673","volume":"109","author":"Rassolov V.","year":"1998","journal-title":"J. Chem. Phys."},{"key":"ref31\/cit31b","doi-asserted-by":"crossref","first-page":"3654","DOI":"10.1063\/1.444267","volume":"77","author":"Francl M. M.","year":"1982","journal-title":"J. Chem. Phys."},{"key":"ref31\/cit31c","doi-asserted-by":"crossref","first-page":"2257","DOI":"10.1063\/1.1677527","volume":"56","author":"Hehre W. J.","year":"1972","journal-title":"J. Chem. Phys."},{"key":"ref32\/cit32","doi-asserted-by":"crossref","first-page":"2571","DOI":"10.1063\/1.463096","volume":"97","author":"Schafer A.","year":"1992","journal-title":"J. Chem. Phys."},{"key":"ref33\/cit33","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":"ref34\/cit34","doi-asserted-by":"crossref","first-page":"5829","DOI":"10.1063\/1.467146","volume":"100","author":"Schafer A.","year":"1994","journal-title":"J. Chem. Phys."},{"key":"ref35\/cit35","doi-asserted-by":"crossref","first-page":"3045","DOI":"10.1063\/1.434318","volume":"66","author":"Seeger R.","year":"1977","journal-title":"J. Chem. Phys."},{"key":"ref36\/cit36","doi-asserted-by":"crossref","first-page":"9047","DOI":"10.1063\/1.471637","volume":"104","author":"Bauernschmitt R.","year":"1996","journal-title":"J. Chem. Phys."},{"key":"ref37\/cit37","doi-asserted-by":"crossref","first-page":"2223","DOI":"10.1080\/00268970500084117","volume":"103","author":"Watts J. D.","year":"2005","journal-title":"Mol. Phys."},{"key":"ref38\/cit38","doi-asserted-by":"crossref","first-page":"12584","DOI":"10.1021\/j100099a021","volume":"98","author":"Dobbs K. D.","year":"1994","journal-title":"J. Phys. Chem."},{"key":"ref39\/cit39","doi-asserted-by":"crossref","first-page":"157","DOI":"10.1021\/ar700111a","volume":"41","author":"Zhao Y.","year":"2008","journal-title":"Acc. Chem. Res."},{"key":"ref40\/cit40","doi-asserted-by":"crossref","first-page":"2012","DOI":"10.1021\/jp045141s","volume":"109","author":"Zhao Y.","year":"2005","journal-title":"J. Phys. Chem. A"},{"key":"ref41\/cit41","doi-asserted-by":"crossref","first-page":"334","DOI":"10.1021\/ja01607a027","volume":"77","author":"Hammond G. S.","year":"1955","journal-title":"J. Am. Chem. Soc."},{"key":"ref42\/cit42","doi-asserted-by":"crossref","first-page":"6052","DOI":"10.1063\/1.1308557","volume":"113","author":"Krylov A. I.","year":"2000","journal-title":"J. Phys. Chem."},{"key":"ref43\/cit43a","doi-asserted-by":"crossref","first-page":"41","DOI":"10.1016\/0166-1280(88)80248-3","volume":"169","author":"Carpenter J. E.","year":"1988","journal-title":"J. Mol. Struct.: THEOCHEM"},{"key":"ref43\/cit43b","unstructured":"Glendening, E. D.; Reed, A. E.; Carpenter, J. E.; Weinhold., F.NBO, version 3.1; Theoretical Chemistry Institute and Department of Chemistry, University of Wisconsin: Madison, Wisconsin."},{"key":"ref44\/cit44","doi-asserted-by":"crossref","first-page":"225","DOI":"10.1016\/0009-2614(77)80574-5","volume":"49","author":"Halgren T. A.","year":"1977","journal-title":"Chem. Phys. Lett."},{"key":"ref45\/cit45a","doi-asserted-by":"crossref","first-page":"9829","DOI":"10.1021\/ja001258s","volume":"122","author":"Pause L.","year":"2000","journal-title":"J. Am. Chem. Soc."},{"key":"ref45\/cit45a1","doi-asserted-by":"crossref","first-page":"11908","DOI":"10.1021\/ja0117985","volume":"123","author":"Pause L.","year":"2001","journal-title":"J. Am. Chem. Soc."},{"key":"ref45\/cit45c","doi-asserted-by":"crossref","first-page":"2180","DOI":"10.1021\/cr068070x","volume":"108","author":"Houmam A.","year":"2008","journal-title":"Chem. Rev."}],"container-title":["The Journal of Physical Chemistry A"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/jp2019928","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,5]],"date-time":"2023-04-05T07:41:43Z","timestamp":1680680503000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/jp2019928"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2011,7,14]]},"references-count":55,"journal-issue":{"issue":"31","published-print":{"date-parts":[[2011,8,11]]}},"alternative-id":["10.1021\/jp2019928"],"URL":"https:\/\/doi.org\/10.1021\/jp2019928","relation":{},"ISSN":["1089-5639","1520-5215"],"issn-type":[{"value":"1089-5639","type":"print"},{"value":"1520-5215","type":"electronic"}],"subject":[],"published":{"date-parts":[[2011,7,14]]}}}