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Monograph Edited by Prof. HAN Keli and Coworker Published by RSC
  English.dicp.cas.cn    Posted:2013-11-11

The monograph entitled ‘Reaction Rate Constant Computations’ has been published by the Royal Society of Chemistry (RSC) recently, which is edited by Prof. Keli Han and Prof. Tianshu Chu from the theoretical and experimental chemical dynamics group (1101) in Dalian Institute of Chemical Physicals (DICP).

The monograph consists of 21 chapters, with significant contributions from esteemed scientists in the field of computational chemistry from France, the United Kingdom, the United States, Canada, Poland, Portugal, Korea, Japan, India, China and Hong Kong SRA of China. The  monograph presents the newest progresses in reaction rate constant computations for a variety range of reactive processes in gas phase, solution and solid state in chemistry, biology, physics, material science and their interdisciplinary related sciences, providing deep insight into unimolecular and bimolecular chemical reactions in gas-phase, nonadiabatic reactions occurring on multiple coupled electronic states, radical four-center isomerization reaction, cluster dissociation, electron mobilities of organic semiconductors, electron-transfer of radical anions and cations, reactions occurring on ice surface in stratospheric clouds, degradation of pollutants in the atmosphere and their implications, proton-transfer reactions in condensed-phase polar solvents, generic charge-transfer reactions involving high polarizability changes, unimolecular electron-transfer and SN1 ionization in room-temperature ionic liquids, radical reactions involving water as a reactant, catalysts on amorphous supports, molecular systems of biological interest with electron transfers or spin-crossing, enzyme-catalyzed reactions, and enzymatic and bioenergetic processes, etc.

Prof. Keli Han and coworker have contributed a chapter of the monograph, presenting the research efforts on rate constant computations at the theoretical and experimental chemical dynamics group (1101) in DICP.by CHU Tianshu 

 

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