{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,24]],"date-time":"2026-08-24T09:38:25Z","timestamp":1787564305580,"version":"build-2736575974"},"reference-count":62,"publisher":"American Chemical Society (ACS)","issue":"39","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Phys. Chem. A"],"published-print":{"date-parts":[[2007,10,1]]},"DOI":"10.1021\/jp0732211","type":"journal-article","created":{"date-parts":[[2007,8,31]],"date-time":"2007-08-31T07:00:22Z","timestamp":1188543622000},"page":"9961-9968","source":"Crossref","is-referenced-by-count":9,"title":["Density Functional Theory Study of the Platinum-Catalyzed Cyclopropanation Reaction with Olefin"],"prefix":"10.1021","volume":"111","author":[{"given":"Zhiyuan","family":"Geng","sequence":"first","affiliation":[{"name":"Gansu Key Laboratory of Polymer Materials, College of Chemistry and Chemical Engineering Northwest Normal University, Lanzhou 730070, P.R. China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Penji","family":"Yan","sequence":"additional","affiliation":[{"name":"Gansu Key Laboratory of Polymer Materials, College of Chemistry and Chemical Engineering Northwest Normal University, Lanzhou 730070, P.R. China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Yongcheng","family":"Wang","sequence":"additional","affiliation":[{"name":"Gansu Key Laboratory of Polymer Materials, College of Chemistry and Chemical Engineering Northwest Normal University, Lanzhou 730070, P.R. China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Xiaoqiang","family":"Yao","sequence":"additional","affiliation":[{"name":"Gansu Key Laboratory of Polymer Materials, College of Chemistry and Chemical Engineering Northwest Normal University, Lanzhou 730070, P.R. China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Yanxia","family":"Han","sequence":"additional","affiliation":[{"name":"Gansu Key Laboratory of Polymer Materials, College of Chemistry and Chemical Engineering Northwest Normal University, Lanzhou 730070, P.R. China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Junxi","family":"Liang","sequence":"additional","affiliation":[{"name":"Gansu Key Laboratory of Polymer Materials, College of Chemistry and Chemical Engineering Northwest Normal University, Lanzhou 730070, P.R. China"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2007,8,31]]},"reference":[{"key":"jp0732211b00001\/jp0732211b00001_1","doi-asserted-by":"crossref","first-page":"1005","DOI":"10.1002\/anie.198610051","volume":"25","author":"Fritschi H.","year":"1986","journal-title":"Angew. Chem., Int Ed. Engl."},{"key":"jp0732211b00002\/jp0732211b00002_1","doi-asserted-by":"crossref","first-page":"919","DOI":"10.1021\/cr00075a013","volume":"86","author":"Doyle M. P.","year":"1986","journal-title":"Chem. Rev."},{"key":"jp0732211b00003\/jp0732211b00003_1","doi-asserted-by":"crossref","first-page":"49","DOI":"10.1021\/cr950016l","volume":"96","author":"Lautens M.","year":"1996","journal-title":"Chem. Rev."},{"key":"jp0732211b00004\/jp0732211b00004_1","doi-asserted-by":"crossref","first-page":"697","DOI":"10.1021\/cr940260x","volume":"101","author":"Boche G.","year":"2001","journal-title":"Chem. Rev."},{"key":"jp0732211b00005\/jp0732211b00005_1","doi-asserted-by":"crossref","first-page":"726","DOI":"10.1021\/ja00002a080","volume":"113","author":"Evans D. A.","year":"1991","journal-title":"J. Am. Chem. Soc."},{"key":"jp0732211b00006\/jp0732211b00006_1","doi-asserted-by":"crossref","first-page":"6233","DOI":"10.1016\/S0040-4039(00)73718-X","volume":"34","author":"Rodriguez J. B.","year":"1993","journal-title":"Tetrahedron Lett."},{"key":"jp0732211b00007\/jp0732211b00007_1","doi-asserted-by":"crossref","first-page":"5405","DOI":"10.1016\/S0040-4039(00)73511-8","volume":"35","author":"Zhao Y.","year":"1994","journal-title":"Tetrahedron Lett."},{"key":"jp0732211b00008\/jp0732211b00008_1","doi-asserted-by":"crossref","first-page":"2223","DOI":"10.1021\/ja00084a104","volume":"116","author":"Nishiyama H.","year":"1994","journal-title":"J. Am. Chem. Soc."},{"key":"jp0732211b00009\/jp0732211b00009_1","doi-asserted-by":"crossref","first-page":"1071","DOI":"10.1246\/cl.1996.1071","author":"Nishiyama H.","year":"1996","journal-title":"Chem. Lett."},{"key":"jp0732211b00010\/jp0732211b00010_1","doi-asserted-by":"crossref","first-page":"2424","DOI":"10.1002\/(SICI)1521-3773(19990816)38:16<2424::AID-ANIE2424>3.0.CO;2-9","volume":"38","author":"Boger D. L.","year":"1999","journal-title":"Angew. Chem., Int. Ed."},{"key":"jp0732211b00011\/jp0732211b00011_1","doi-asserted-by":"crossref","first-page":"537","DOI":"10.1002\/anie.198805371","volume":"27","author":"Suckling C.","year":"1988","journal-title":"J. Angew. Chem. Int. Ed. Engl."},{"key":"jp0732211b00012\/jp0732211b00012_1","doi-asserted-by":"crossref","first-page":"4119","DOI":"10.1021\/ja001416f","volume":"123","author":"Che C. M.","year":"2001","journal-title":"J. Am. Chem. Soc."},{"key":"jp0732211b00013\/jp0732211b00013_1","doi-asserted-by":"crossref","first-page":"7616","DOI":"10.1021\/ja003695c","volume":"123","author":"Fraile J. M.","year":"2001","journal-title":"J. Am. Chem. Soc."},{"key":"jp0732211b00014\/jp0732211b00014_1","doi-asserted-by":"crossref","first-page":"6157","DOI":"10.1021\/ja015676o","volume":"123","author":"Rodriguze-Garcia C.","year":"2001","journal-title":"J. Am. Chem. Soc."},{"key":"jp0732211b00015\/jp0732211b00015_1","doi-asserted-by":"crossref","first-page":"1288","DOI":"10.1002\/1521-3773(20010401)40:7<1288::AID-ANIE1288>3.0.CO;2-6","volume":"40","author":"Straub B. F.","year":"2001","journal-title":"Angew. Chem, Int. Ed. Engl."},{"key":"jp0732211b00016\/jp0732211b00016_1","doi-asserted-by":"crossref","first-page":"2511","DOI":"10.1021\/ja00059a059","volume":"115","author":"Smith D. A.","year":"1993","journal-title":"J. Am. Chem. Soc."},{"key":"jp0732211b00017\/jp0732211b00017_1","doi-asserted-by":"crossref","first-page":"934","DOI":"10.1039\/c39930000934","author":"Collman J. P.","year":"1993","journal-title":"J. Chem. Soc. Chem. Commun."},{"key":"jp0732211b00018\/jp0732211b00018_1","doi-asserted-by":"crossref","first-page":"303","DOI":"10.1002\/chem.19960020311","volume":"2","author":"Park S.-B.","year":"1996","journal-title":"Chem. Eur. J."},{"key":"jp0732211b00019\/jp0732211b00019_1","doi-asserted-by":"crossref","first-page":"5844","DOI":"10.1021\/ja9806985","volume":"120","author":"Nakamura E.","year":"1998","journal-title":"J. Am. Chem. Soc."},{"key":"jp0732211b00020\/jp0732211b00020_1","doi-asserted-by":"crossref","first-page":"927","DOI":"10.1246\/cl.1998.927","author":"Hirai A.","year":"1998","journal-title":"Chem. Lett."},{"key":"jp0732211b00021\/jp0732211b00021_1","doi-asserted-by":"crossref","first-page":"2241","DOI":"10.1021\/cr00032a003","volume":"94","author":"Jennings P. W.","year":"1994","journal-title":"Chem. Rev."},{"key":"jp0732211b00022\/jp0732211b00022_1","doi-asserted-by":"crossref","first-page":"32","DOI":"10.1016\/S0022-328X(01)01082-8","volume":"642","author":"Bertani R.","year":"2002","journal-title":"Michelin J. Organomet. Chem."},{"key":"jp0732211b00023\/jp0732211b00023_1","doi-asserted-by":"crossref","first-page":"45","DOI":"10.1016\/j.theochem.2005.12.028","volume":"761","author":"Marco-Contelles J.","year":"2006","journal-title":"J. Mol. Struct. (THEOCHEM)"},{"key":"jp0732211b00024\/jp0732211b00024_1","doi-asserted-by":"crossref","first-page":"3887","DOI":"10.1021\/ja963136z","volume":"119","author":"Dias E. L.","year":"1997","journal-title":"J. Am. Chem. Soc."},{"key":"jp0732211b00025\/jp0732211b00025_1","doi-asserted-by":"crossref","first-page":"2484","DOI":"10.1021\/om9710172","volume":"17","author":"Ulman M.","year":"1998","journal-title":"Organometallics"},{"key":"jp0732211b00026\/jp0732211b00026_1","doi-asserted-by":"crossref","first-page":"3944","DOI":"10.1021\/jo00226a049","volume":"52","author":"Molander G. A.","year":"1987","journal-title":"J. Org. Chem."},{"key":"jp0732211b00027\/jp0732211b00027_1","doi-asserted-by":"crossref","first-page":"453","DOI":"10.1021\/ja00236a025","volume":"109","author":"Molander G. A.","year":"1987","journal-title":"J. Am. Chem. Soc."},{"key":"jp0732211b00028\/jp0732211b00028_1","doi-asserted-by":"crossref","first-page":"1960","DOI":"10.1021\/om9509554","volume":"15","author":"Grunwald C.","year":"1996","journal-title":"Organometallics"},{"key":"jp0732211b00029\/jp0732211b00029_1","doi-asserted-by":"crossref","first-page":"6792","DOI":"10.1021\/ja953816m","volume":"118","author":"Charette A. B.","year":"1996","journal-title":"J. Am. Chem. Soc."},{"key":"jp0732211b00030\/jp0732211b00030_1","doi-asserted-by":"crossref","first-page":"8792","DOI":"10.1021\/jo961235p","volume":"61","author":"Theberge C. R.","year":"1996","journal-title":"J. Org. Chem."},{"key":"jp0732211b00031\/jp0732211b00031_1","doi-asserted-by":"crossref","first-page":"2615","DOI":"10.1021\/ol0347545","volume":"5","author":"Nishino F.","year":"2003","journal-title":"Org. Lett."},{"key":"jp0732211b00032\/jp0732211b00032_1","doi-asserted-by":"crossref","first-page":"13140","DOI":"10.1021\/ja054328+","volume":"127","author":"Fournier J.-F.","year":"2005","journal-title":"J. Am. Chem. Soc."},{"key":"jp0732211b00033\/jp0732211b00033_1","doi-asserted-by":"crossref","first-page":"3437","DOI":"10.1021\/ol060893l","volume":"8","author":"Reddy R. P.","year":"2006","journal-title":"Org. Lett."},{"key":"jp0732211b00034\/jp0732211b00034_1","doi-asserted-by":"crossref","first-page":"14845","DOI":"10.1021\/ja0649116","volume":"128","author":"Knorr R.","year":"2006","journal-title":"J. Am. Chem. Soc."},{"key":"jp0732211b00035\/jp0732211b00035_1","doi-asserted-by":"crossref","first-page":"4256","DOI":"10.1021\/ja01525a036","volume":"81","author":"Simmons H. E.","year":"1959","journal-title":"J. Am. Chem. Soc."},{"key":"jp0732211b00036\/jp0732211b00036_1","doi-asserted-by":"crossref","first-page":"2741","DOI":"10.1021\/om00006a021","volume":"14","author":"McCrindle R.","year":"1995","journal-title":"Organometallics"},{"key":"jp0732211b00037\/jp0732211b00037_1","doi-asserted-by":"crossref","first-page":"5529","DOI":"10.1021\/om000225i","volume":"19","author":"Fernando B.","year":"2000","journal-title":"Organometallics"},{"key":"jp0732211b00038\/jp0732211b00038_1","doi-asserted-by":"crossref","first-page":"12300","DOI":"10.1021\/ja971995x","volume":"119","author":"Bernardi F.","year":"1997","journal-title":"J. Am. Chem. Soc."},{"key":"jp0732211b00039\/jp0732211b00039_1","doi-asserted-by":"crossref","first-page":"877","DOI":"10.1039\/P29960000877","volume":"2","author":"Dargel T. K.","year":"1996","journal-title":"J. Chem. Soc., Perkin Trans."},{"key":"jp0732211b00040\/jp0732211b00040_1","doi-asserted-by":"crossref","first-page":"4109","DOI":"10.1016\/S0040-4020(00)00334-3","volume":"56","author":"Hermann H.","year":"2000","journal-title":"Tetrahedron"},{"key":"jp0732211b00041\/jp0732211b00041_1","doi-asserted-by":"crossref","first-page":"5844","DOI":"10.1021\/ja9806985","volume":"120","author":"Nakamura E.","year":"1998","journal-title":"J. Am. Chem. Soc."},{"key":"jp0732211b00042\/jp0732211b00042_1","doi-asserted-by":"crossref","first-page":"154","DOI":"10.1021\/jo0107655","volume":"67","author":"Fang W.-H.","year":"2002","journal-title":"J. Org. Chem."},{"key":"jp0732211b00043\/jp0732211b00043_1","doi-asserted-by":"crossref","first-page":"2341","DOI":"10.1021\/ja026709i","volume":"125","author":"Nakamura M.","year":"2003","journal-title":"J. Am. Chem. Soc."},{"key":"jp0732211b00044\/jp0732211b00044_1","doi-asserted-by":"crossref","first-page":"12903","DOI":"10.1021\/ja020965d","volume":"124","author":"Zhao C. Y.","year":"2002","journal-title":"J. Am. Chem. Soc."},{"key":"jp0732211b00045\/jp0732211b00045_1","doi-asserted-by":"crossref","first-page":"15200","DOI":"10.1021\/ja030280t","volume":"125","author":"Zhao C. Y.","year":"2003","journal-title":"J. Am. Chem. Soc."},{"key":"jp0732211b00046\/jp0732211b00046_1","doi-asserted-by":"crossref","first-page":"2751","DOI":"10.1021\/om0009280","volume":"20","author":"Fernando B.","year":"2001","journal-title":"Organometallics"},{"key":"jp0732211b00047\/jp0732211b00047_1","doi-asserted-by":"crossref","first-page":"4478","DOI":"10.1021\/ja028337j","volume":"125","author":"Julian R. R.","year":"2003","journal-title":"J. Am. Chem. Soc."},{"key":"jp0732211b00048\/jp0732211b00048_1","doi-asserted-by":"crossref","first-page":"12300","DOI":"10.1021\/ja971995x","volume":"119","author":"Fernando B.","year":"1997","journal-title":"J. Am. Chem. Soc."},{"key":"jp0732211b00049\/jp0732211b00049_1","doi-asserted-by":"crossref","first-page":"7616","DOI":"10.1021\/ja003695c","volume":"123","author":"Fraile J. M.","year":"2001","journal-title":"J. Am. Chem. Soc."},{"key":"jp0732211b00050\/jp0732211b00050_1","doi-asserted-by":"crossref","first-page":"5901","DOI":"10.1021\/om020679a","volume":"21","author":"Wang D.","year":"2002","journal-title":"Organometallics"},{"key":"jp0732211b00051\/jp0732211b00051_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":"jp0732211b00052\/jp0732211b00052_1","doi-asserted-by":"crossref","first-page":"3098","DOI":"10.1103\/PhysRevA.38.3098","volume":"38","author":"Becke A. D.","year":"1988","journal-title":"Phys. Rev. A"},{"key":"jp0732211b00053\/jp0732211b00053_1","doi-asserted-by":"crossref","first-page":"785","DOI":"10.1103\/PhysRevB.37.785","volume":"37","author":"Lee C.","year":"1988","journal-title":"Phys. Rev. B"},{"key":"jp0732211b00054\/jp0732211b00054_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":"jp0732211b00055\/jp0732211b00055_1","doi-asserted-by":"crossref","first-page":"1878","DOI":"10.1063\/1.469712","volume":"103","author":"Glukhovtse M. N.","year":"1995","journal-title":"J. Chem. Phys."},{"key":"jp0732211b00056\/jp0732211b00056_1","doi-asserted-by":"crossref","first-page":"123","DOI":"10.1007\/BF01114537","volume":"77","author":"Andrae D.","year":"1990","journal-title":"Chim. Acta."},{"key":"jp0732211b00057\/jp0732211b00057_1","first-page":"117","volume":"55","author":"Miertus S.","year":"1981","journal-title":"J. Chem. Phys."},{"key":"jp0732211b00058\/jp0732211b00058_1","first-page":"239","volume":"65","author":"Miertus S.","year":"1982","journal-title":"J. Chem. Phys."},{"key":"jp0732211b00059\/jp0732211b00059_1","volume-title":"Gaussian 98, revision A.5","author":"Frisch M. J.","year":"1998"},{"key":"jp0732211b00060\/jp0732211b00060_1","doi-asserted-by":"crossref","first-page":"3525","DOI":"10.1021\/jo00276a008","volume":"54","author":"Molander G. A.","year":"1989","journal-title":"J. Org. Chem."},{"key":"jp0732211b00061\/jp0732211b00061_1","doi-asserted-by":"crossref","first-page":"1917","DOI":"10.1002\/1521-3773(20020603)41:11<1917::AID-ANIE1917>3.0.CO;2-1","volume":"41","author":"Concello\u2018n J. M.","year":"2002","journal-title":"Angew. Chem., Int. Ed."},{"key":"jp0732211b00062\/jp0732211b00062_1","doi-asserted-by":"crossref","first-page":"3735","DOI":"10.1021\/om060333q","volume":"25","author":"Li Z. H.","year":"2006","journal-title":"Organometallics"}],"container-title":["The Journal of Physical Chemistry A"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/jp0732211","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2021,10,4]],"date-time":"2021-10-04T02:16:27Z","timestamp":1633313787000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/jp0732211"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2007,8,31]]},"references-count":62,"journal-issue":{"issue":"39","published-print":{"date-parts":[[2007,10,1]]}},"alternative-id":["10.1021\/jp0732211"],"URL":"https:\/\/doi.org\/10.1021\/jp0732211","relation":{},"ISSN":["1089-5639","1520-5215"],"issn-type":[{"value":"1089-5639","type":"print"},{"value":"1520-5215","type":"electronic"}],"subject":[],"published":{"date-parts":[[2007,8,31]]}}}