{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,27]],"date-time":"2026-08-27T21:06:13Z","timestamp":1787864773178,"version":"build-2784847793"},"reference-count":62,"publisher":"American Chemical Society (ACS)","issue":"40","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Phys. Chem. B"],"published-print":{"date-parts":[[2006,10,1]]},"DOI":"10.1021\/jp0629745","type":"journal-article","created":{"date-parts":[[2006,8,30]],"date-time":"2006-08-30T10:05:16Z","timestamp":1156932316000},"page":"20055-20066","source":"Crossref","is-referenced-by-count":63,"title":["Exploring the Role of Decoherence in Condensed-Phase Nonadiabatic Dynamics:\u2009 A Comparison of Different Mixed Quantum\/Classical Simulation Algorithms for the Excited Hydrated Electron"],"prefix":"10.1021","volume":"110","author":[{"given":"Ross E.","family":"Larsen","sequence":"first","affiliation":[{"name":"Department of Chemistry and Biochemistry, University of California, Los Angeles, Los Angeles, California 90095-1569"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Michael J.","family":"Bedard-Hearn","sequence":"additional","affiliation":[{"name":"Department of Chemistry and Biochemistry, University of California, Los Angeles, Los Angeles, California 90095-1569"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Benjamin J.","family":"Schwartz","sequence":"additional","affiliation":[{"name":"Department of Chemistry and Biochemistry, University of California, Los Angeles, Los Angeles, California 90095-1569"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2006,8,30]]},"reference":[{"key":"jp0629745b00001\/jp0629745b00001_1","volume-title":"\u201cComputer simulation of rare events and dynamics of classical and quantum condensed-phase systems","author":"Berne B. J.","year":"1998"},{"key":"jp0629745b00002\/jp0629745b00002_1","doi-asserted-by":"crossref","first-page":"225","DOI":"10.1006\/jcph.1999.6287","volume":"153","author":"Drukker K.","year":"1999","journal-title":"J. Comput. Phys."},{"issue":"2","key":"jp0629745b00003\/jp0629745b00003_1","doi-asserted-by":"crossref","first-page":"1071","DOI":"10.1063\/1.459170","volume":"93","author":"Tully J. C.","year":"1990","journal-title":"J. Chem. Phys."},{"issue":"8","key":"jp0629745b00004\/jp0629745b00004_1","first-page":"1014","volume":"67","author":"Neria E.","year":"1991","journal-title":"Phys. Rev."},{"issue":"7","key":"jp0629745b00005\/jp0629745b00005_1","doi-asserted-by":"crossref","first-page":"4847","DOI":"10.1063\/1.467204","volume":"100","author":"Webster F.","year":"1994","journal-title":"J. Chem. Phys."},{"issue":"3","key":"jp0629745b00006\/jp0629745b00006_1","doi-asserted-by":"crossref","first-page":"834","DOI":"10.1063\/1.474382","volume":"107","author":"Prezhdo O. V.","year":"1997","journal-title":"J. Chem. Phys."},{"key":"jp0629745b00007\/jp0629745b00007_1","doi-asserted-by":"crossref","first-page":"9305","DOI":"10.1063\/1.1368388","volume":"114","author":"Hack M. D.","year":"2001","journal-title":"J. Chem. Phys."},{"issue":"12","key":"jp0629745b00008\/jp0629745b00008_1","first-page":"2556","volume":"105","author":"Wong K. F.","year":"2001","journal-title":"J. Phys. Chem. A"},{"issue":"19","key":"jp0629745b00009\/jp0629745b00009_1","first-page":"8428","volume":"116","author":"Wong K. F.","year":"2002","journal-title":"J. Chem. Phys."},{"issue":"19","key":"jp0629745b00010\/jp0629745b00010_1","first-page":"8438","volume":"116","author":"Wong K. F.","year":"2002","journal-title":"J. Chem. Phys."},{"key":"jp0629745b00011\/jp0629745b00011_1","doi-asserted-by":"crossref","first-page":"5543","DOI":"10.1063\/1.1648306","volume":"120","author":"Zhu C. Y.","year":"2004","journal-title":"J. Chem. Phys."},{"key":"jp0629745b00012\/jp0629745b00012_1","doi-asserted-by":"crossref","first-page":"7658","DOI":"10.1063\/1.1793991","volume":"121","author":"Zhu C. Y.","year":"2004","journal-title":"J. Chem. Phys."},{"key":"jp0629745b00013\/jp0629745b00013_1","doi-asserted-by":"crossref","first-page":"234106","DOI":"10.1063\/1.2131056","volume":"123","author":"Bedard-Hearn M. J.","year":"2005","journal-title":"J. Chem. Phys."},{"issue":"6","key":"jp0629745b00014\/jp0629745b00014_1","doi-asserted-by":"crossref","first-page":"4667","DOI":"10.1063\/1.467455","volume":"101","author":"Hammes-Schiffer S.","year":"1994","journal-title":"J. Chem. Phys."},{"key":"jp0629745b00015\/jp0629745b00015_1","doi-asserted-by":"crossref","first-page":"7884","DOI":"10.1021\/jp953105a","volume":"100","author":"Martinez T. J.","year":"1996","journal-title":"J. Phys. Chem."},{"key":"jp0629745b00016\/jp0629745b00016_1","doi-asserted-by":"crossref","first-page":"6113","DOI":"10.1063\/1.481213","volume":"112","author":"Ben-Nun M.","year":"2000","journal-title":"J. Chem. Phys."},{"key":"jp0629745b00017\/jp0629745b00017_1","doi-asserted-by":"crossref","first-page":"8919","DOI":"10.1063\/1.478811","volume":"110","author":"Kapral R.","year":"1999","journal-title":"J. Chem. Phys."},{"key":"jp0629745b00018\/jp0629745b00018_1","doi-asserted-by":"crossref","first-page":"6543","DOI":"10.1063\/1.481225","volume":"112","author":"Nielsen S.","year":"2000","journal-title":"J. Chem. Phys."},{"key":"jp0629745b00019\/jp0629745b00019_1","doi-asserted-by":"crossref","first-page":"2885","DOI":"10.1021\/jp0037899","volume":"105","author":"Kapral R.","year":"2001","journal-title":"J. Phys. Chem. A"},{"key":"jp0629745b00020\/jp0629745b00020_1","doi-asserted-by":"crossref","first-page":"4447","DOI":"10.1063\/1.481007","volume":"112","author":"Wan C.-C.","year":"2000","journal-title":"J. Chem. Phys."},{"key":"jp0629745b00021\/jp0629745b00021_1","doi-asserted-by":"crossref","first-page":"7047","DOI":"10.1063\/1.1313525","volume":"113","author":"Wan C.-C.","year":"2000","journal-title":"J. Chem. Phys."},{"key":"jp0629745b00022\/jp0629745b00022_1","doi-asserted-by":"crossref","first-page":"494","DOI":"10.1063\/1.1425835","volume":"116","author":"Wan C.-C.","year":"2002","journal-title":"J. Chem. Phys."},{"key":"jp0629745b00023\/jp0629745b00023_1","doi-asserted-by":"crossref","first-page":"2001","DOI":"10.1063\/1.1336576","volume":"114","author":"Santer M.","year":"2001","journal-title":"J. Chem. Phys."},{"key":"jp0629745b00024\/jp0629745b00024_1","doi-asserted-by":"crossref","first-page":"240","DOI":"10.1016\/S0009-2614(02)00848-5","volume":"360","author":"Ando K.","year":"2002","journal-title":"Chem. Phys. Lett."},{"key":"jp0629745b00025\/jp0629745b00025_1","doi-asserted-by":"crossref","first-page":"10399","DOI":"10.1063\/1.1574015","volume":"118","author":"Ando K.","year":"2003","journal-title":"J. Chem. Phys."},{"key":"jp0629745b00026\/jp0629745b00026_1","first-page":"108","volume":"322","author":"Riga J. M.","year":"2006","journal-title":"Chem. Phys. Lett."},{"key":"jp0629745b00027\/jp0629745b00027_1","doi-asserted-by":"crossref","first-page":"129","DOI":"10.1146\/annurev.physchem.57.032905.104702","volume":"57","author":"Kapral R.","year":"2006","journal-title":"Annu. Rev. Phys. Chem."},{"issue":"1","key":"jp0629745b00028\/jp0629745b00028_1","doi-asserted-by":"crossref","first-page":"522","DOI":"10.1063\/1.466218","volume":"99","author":"Murphrey T. H.","year":"1993","journal-title":"J. Chem. Phys."},{"issue":"8","key":"jp0629745b00029\/jp0629745b00029_1","first-page":"6916","volume":"101","author":"Schwartz B. J.","year":"1994","journal-title":"J. Chem. Phys."},{"issue":"8","key":"jp0629745b00030\/jp0629745b00030_1","first-page":"6926","volume":"101","author":"Schwartz B. J.","year":"1994","journal-title":"J. Chem. Phys."},{"key":"jp0629745b00031\/jp0629745b00031_1","doi-asserted-by":"crossref","first-page":"2953","DOI":"10.1021\/j100010a004","volume":"99","author":"Schwartz B. J.","year":"1995","journal-title":"J. Phys. Chem."},{"issue":"16","key":"jp0629745b00032\/jp0629745b00032_1","first-page":"7010","volume":"105","author":"Schwartz B. J.","year":"1996","journal-title":"J. Chem. Phys."},{"key":"jp0629745b00033\/jp0629745b00033_1","doi-asserted-by":"crossref","first-page":"5942","DOI":"10.1063\/1.471326","volume":"104","author":"Schwartz B. J.","year":"1996","journal-title":"J. Chem. Phys."},{"key":"jp0629745b00034\/jp0629745b00034_1","doi-asserted-by":"crossref","first-page":"203","DOI":"10.1016\/S0166-1280(96)04612-X","volume":"389","author":"Bittner E. R.","year":"1997","journal-title":"J. Mol. Struct. (THEOCHEM)"},{"key":"jp0629745b00035\/jp0629745b00035_1","doi-asserted-by":"crossref","first-page":"522","DOI":"10.1016\/0010-4655(91)90272-M","volume":"63","author":"Webster F.","year":"1991","journal-title":"Comput. Phys. Commun."},{"key":"jp0629745b00037\/jp0629745b00037_1","doi-asserted-by":"crossref","first-page":"166","DOI":"10.1103\/PhysRev.181.166","volume":"181","author":"Pechukas P.","year":"1969","journal-title":"Phys. Rev."},{"key":"jp0629745b00038\/jp0629745b00038_1","doi-asserted-by":"crossref","first-page":"174","DOI":"10.1103\/PhysRev.181.174","volume":"181","author":"Pechukas P.","year":"1969","journal-title":"Phys. Rev."},{"issue":"9","key":"jp0629745b00039\/jp0629745b00039_1","doi-asserted-by":"crossref","first-page":"4184","DOI":"10.1063\/1.478300","volume":"110","author":"McWhirter J. L.","year":"1999","journal-title":"J. Chem. Phys."},{"key":"jp0629745b00040\/jp0629745b00040_1","doi-asserted-by":"crossref","first-page":"229","DOI":"10.1021\/ct050213k","volume":"2","author":"Parandekar P.","year":"2006","journal-title":"J. Chem. Theory Comput."},{"key":"jp0629745b00041\/jp0629745b00041_1","first-page":"323","volume":"124","author":"Schrodinger E.","year":"1980","journal-title":"Proc. Am. Philos. Soc."},{"issue":"10","key":"jp0629745b00042\/jp0629745b00042_1","doi-asserted-by":"crossref","first-page":"36","DOI":"10.1063\/1.881293","volume":"44","author":"Zurek W. H.","year":"1991","journal-title":"Phys. Today"},{"key":"jp0629745b00043\/jp0629745b00043_1","doi-asserted-by":"crossref","first-page":"562","DOI":"10.1063\/1.1675788","volume":"55","author":"Tully J. C.","year":"1971","journal-title":"J. Chem. Phys."},{"key":"jp0629745b00045\/jp0629745b00045_1","doi-asserted-by":"crossref","first-page":"6230","DOI":"10.1063\/1.474288","volume":"107","author":"M\u00fcller U.","year":"1997","journal-title":"J. Chem. Phys."},{"key":"jp0629745b00046\/jp0629745b00046_1","doi-asserted-by":"crossref","first-page":"064103","DOI":"10.1063\/1.1995695","volume":"123","author":"An","year":"2005","journal-title":"J. Chem. Phys."},{"key":"jp0629745b00047\/jp0629745b00047_1","doi-asserted-by":"crossref","first-page":"17094","DOI":"10.1021\/jp9611232","volume":"100","author":"Prezhdo O. V.","year":"1996","journal-title":"J. Phys. Chem."},{"issue":"5","key":"jp0629745b00049\/jp0629745b00049_1","doi-asserted-by":"crossref","first-page":"2648","DOI":"10.1103\/PhysRevB.31.2643","volume":"31","author":"Toukan K.","year":"1985","journal-title":"Phys. Rev. B"},{"issue":"6","key":"jp0629745b00050\/jp0629745b00050_1","first-page":"3470","volume":"86","author":"Schnitker J.","year":"1987","journal-title":"J. Chem. Phys."},{"issue":"13","key":"jp0629745b00051\/jp0629745b00051_1","doi-asserted-by":"crossref","first-page":"6195","DOI":"10.1063\/1.1503308","volume":"117","author":"Turi L.","year":"2002","journal-title":"J. Chem. Phys."},{"key":"jp0629745b00052\/jp0629745b00052_1","volume-title":"Computer Simulation of Liquids","author":"Allen M. P.","year":"1992"},{"key":"jp0629745b00053\/jp0629745b00053_1","doi-asserted-by":"crossref","first-page":"335","DOI":"10.1080\/00268978200100281","volume":"45","author":"Steinhauser O.","year":"1982","journal-title":"Mol. Phys."},{"key":"jp0629745b00054\/jp0629745b00054_1","doi-asserted-by":"crossref","first-page":"2383","DOI":"10.1021\/j100481a016","volume":"83","author":"Jou F.-Y.","year":"1979","journal-title":"J. Phys. Chem."},{"issue":"5","key":"jp0629745b00055\/jp0629745b00055_1","doi-asserted-by":"crossref","first-page":"145","DOI":"10.1021\/ar00065a002","volume":"14","author":"Kevan L.","year":"1981","journal-title":"Acc. Chem. Res."},{"issue":"5","key":"jp0629745b00056\/jp0629745b00056_1","first-page":"459","volume":"60","author":"Schnitker J.","year":"1988","journal-title":"Phys. Rev."},{"issue":"7","key":"jp0629745b00057\/jp0629745b00057_1","doi-asserted-by":"crossref","first-page":"2655","DOI":"10.1063\/1.470524","volume":"103","author":"Staib A.","year":"1995","journal-title":"J. Chem. Phys."},{"issue":"5","key":"jp0629745b00058\/jp0629745b00058_1","doi-asserted-by":"crossref","first-page":"1402","DOI":"10.1021\/ja021134a","volume":"125","author":"Tauber M. J.","year":"2003","journal-title":"J. Am. Chem. Soc."},{"key":"jp0629745b00059\/jp0629745b00059_1","doi-asserted-by":"crossref","first-page":"1006","DOI":"10.1021\/jp0546453","volume":"110","author":"Larsen R. E.","year":"2006","journal-title":"J. Phys. Chem. B"},{"key":"jp0629745b00060\/jp0629745b00060_1","author":"Bedard-Hearn M. J.","journal-title":"J. Phys. Rev. Lett., in press."},{"key":"jp0629745b00064\/jp0629745b00064_1","volume-title":"\u201cbounce","author":"The"},{"key":"jp0629745b00066\/jp0629745b00066_1","doi-asserted-by":"crossref","first-page":"094102","DOI":"10.1063\/1.1856460","volume":"122","author":"Parandekar P.","year":"2005","journal-title":"J. Chem. Phys."},{"key":"jp0629745b00067\/jp0629745b00067_1","doi-asserted-by":"crossref","first-page":"756","DOI":"10.1063\/1.523304","volume":"18","author":"Misra B.","year":"1977","journal-title":"J. Math. Phys."},{"key":"jp0629745b00068\/jp0629745b00068_1","doi-asserted-by":"crossref","first-page":"134506","DOI":"10.1063\/1.1867378","volume":"122","author":"Bedard-Hearn M. J.","year":"2005","journal-title":"J. Chem. Phys."},{"key":"jp0629745b00069\/jp0629745b00069_1","unstructured":"Bedard, M. J. Understanding classical and quantum solvation dynamics in the weakly polar solvent tetrahydrofuran (THF) using projections of molecular motions in molecular dynamics simulations, Ph.D. Thesis, University of California, Los Angeles, CA, 2006."}],"container-title":["The Journal of Physical Chemistry B"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/jp0629745","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2021,9,20]],"date-time":"2021-09-20T03:08:16Z","timestamp":1632107296000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/jp0629745"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2006,8,30]]},"references-count":62,"journal-issue":{"issue":"40","published-print":{"date-parts":[[2006,10,1]]}},"alternative-id":["10.1021\/jp0629745"],"URL":"https:\/\/doi.org\/10.1021\/jp0629745","relation":{},"ISSN":["1520-6106","1520-5207"],"issn-type":[{"value":"1520-6106","type":"print"},{"value":"1520-5207","type":"electronic"}],"subject":[],"published":{"date-parts":[[2006,8,30]]}}}