@article{5db96a6ee59e4d0e9e424eefeab56b40,
title = "Ab initio electronic structure calculations of stationary points and barrier heights for the ClHCl and HCl2 systems",
abstract = "Properties of the stationary points on the potential energy surface of the ClHCl and HCl2 systems have been calculated by several ab initio methods using large basis sets with extensive treatment of electron correlation. The most accurate results are consistent with experimental barrier estimates for the H + Cl2 → HCl + Cl and Cl + HCl → ClH + Cl reactions.",
author = "Vincent, {M. A.} and Connor, {J. N L} and Gordon, {Mark S.} and Schatz, {George C.}",
note = "Funding Information: Wea rev eryg ratefutlo Mr. V.R. Saunderfso r cre-atinga largem emoryv ersiono f the DIRECT pro-gramf or us.W e alsot hankD r. J. Altmanno f Uni-versityo f London ComputerC entref or help in runningt heA TMOL suiteo f programsa,n dP rofes-sorW . Jakubetza ndD r. J. J.W. McDouallf or useful discussionTsh. is researchha sb eens upportebdy the UK Sciencea nd EngineeringR esearchC ouncil (MAV, JNLC), by theU S Air ForceO fficeo f Sci-entificR esearch(M SG-gran9t 0-0052)a, ndb y the US NationaSl ciencFeo undation(M SG-granCt HE-891 191 1;G CS-901 6490)T. he electronicst ructure calculationpse rformebdy M SG werep artlyd oneo n an IBM RS6000/530o, btainedv ia a grantf rom AFOSR, andi n parto n theN orthD akotaS tateU ni-versityIB M ES9000S. omeo f thel atterc alculations werep erformewd hileM SG wasa VisitingS cientist at theI nstitutefo r MolecularS cienceO, kazakiJ,a - pan.T he hospitalityo f ProfessorK . Morokumaa t IMS is warmlya cknowledged.",
year = "1993",
month = feb,
day = "26",
doi = "10.1016/0009-2614(93)85591-B",
language = "English (US)",
volume = "203",
pages = "415--422",
journal = "Chemical Physics Letters",
issn = "0009-2614",
publisher = "Elsevier",
number = "4",
}