LEADER 04297nam 22006374a 450 001 9910780043503321 005 20200520144314.0 010 $a1-280-20546-6 010 $a9786610205462 010 $a0-306-46949-9 024 7 $a10.1007/0-306-46949-9 035 $a(CKB)111056486604440 035 $a(EBL)3035523 035 $a(SSID)ssj0000257973 035 $a(PQKBManifestationID)11218422 035 $a(PQKBTitleCode)TC0000257973 035 $a(PQKBWorkID)10254687 035 $a(PQKB)11496396 035 $a(DE-He213)978-0-306-46949-7 035 $a(MiAaPQ)EBC3035523 035 $a(Au-PeEL)EBL3035523 035 $a(CaPaEBR)ebr10048253 035 $a(CaONFJC)MIL20546 035 $a(OCoLC)70736479 035 $a(PPN)237928981 035 $a(EXLCZ)99111056486604440 100 $a20000922d2000 uy 0 101 0 $aeng 135 $aur|n|---||||| 181 $ctxt 182 $cc 183 $acr 200 00$aTheoretical methods in condensed phase chemistry$b[electronic resource] /$fedited by Steven D. Schwartz 205 $a1st ed. 2002. 210 $aDordrecht ;$aBoston $cKluwer Academic Publishers$dc2000 215 $a1 online resource (318 p.) 225 1 $aProgress in theoretical chemistry and physics ;$vv. 5 300 $aDescription based upon print version of record. 311 $a0-7923-6687-5 320 $aIncludes bibliographical references and index. 327 $aClassical and Quantum Rate Theory for Condensed Phases -- Feynman Path Centroid Dynamics -- Proton Transfer in Condensed Phases: Beyond the Quantum Kramers Paradigm -- Nonstationary Stochastic Dynamics and Applications to Chemical Physics -- Orbital-Free Kinetic-Energy Density Functional Theory -- Semiclassical Surface Hopping Methods for Nonadiabatic Transitions in Condensed Phases -- Mechanistic Studies of Solvation Dynamics in Liquids -- Theoretical Chemistry for Heterogeneous Reactions of Atmospheric Importance. The HC1+CIONO2 Reaction on Ice -- Simulation of Chemical Reactions in Solution Using an AB Initio Molecular Orbital-Valence Bond Model -- Methods for Finding Saddle Points and Minimum Energy Paths. 330 $aThis book is meant to provide a window on the rapidly growing body of theoretical studies of condensed phase chemistry. A brief perusal of physical chemistry journals in the early to mid 1980?s will find a large number of theor- ical papers devoted to 3-body gas phase chemical reaction dynamics. The recent history of theoretical chemistry has seen an explosion of progress in the devel- ment of methods to study similar properties of systems with Avogadro?s number of particles. While the physical properties of condensed phase systems have long been principle targets of statistical mechanics, microscopic dynamic theories that start from detailed interaction potentials and build to first principles predictions of properties are now maturing at an extraordinary rate. The techniques in use range from classical studies of new Generalized Langevin Equations, semicl- sical studies for non-adiabatic chemical reactions in condensed phase, mixed quantum classical studies of biological systems, to fully quantum studies of m- els of condensed phase environments. These techniques have become sufficiently sophisticated, that theoretical prediction of behavior in actual condensed phase environments is now possible. and in some cases, theory is driving development in experiment. The authors and chapters in this book have been chosen to represent a wide variety in the current approaches to the theoretical chemistry of condensed phase systems. I have attempted a number of groupings of the chapters, but the - versity of the work always seems to frustrate entirely consistent grouping. 410 0$aProgress in theoretical chemistry and physics ;$vv. 5. 606 $aChemistry, Physical and theoretical 606 $aCondensed matter 615 0$aChemistry, Physical and theoretical. 615 0$aCondensed matter. 676 $a541/.0421 701 $aSchwartz$b Steven David$01569431 801 0$bMiAaPQ 801 1$bMiAaPQ 801 2$bMiAaPQ 906 $aBOOK 912 $a9910780043503321 996 $aTheoretical methods in condensed phase chemistry$93842354 997 $aUNINA