The mechanism for the gas phase ion-molecule reaction of BH+ 2 with H2O has been investigated by using the B3LYP/ 6-311+ G ( d, p) and CCSD/ 6-311+ G ( d, p) methods. 采用密度泛函方法B3LYP/6-311+G(d,p)和耦合簇方法CCSD/6-311+G(d,p)研究了BH2+与H2O的气相离子-分子反应机理。
The feature of the potential energy surface shows that Eyring's physical model treating gas phase ion-molecule reaction is too simple, and the mechanism transfering proton in the system consists of several elementary processes. 该势能面的面貌表明Eyring模型用于气相离子&分子反应过于简单,质子传递的过程应由若干基元过程组成。
Progress in Researches on Gas-Phase S_N2 Ion-Molecule Reaction by Mass Spectrometry 有机质谱学法研究气相SN2离子-分子反应进展
ON GAS PHASE ION-MOLECULE REACTION ⅰ. The Quantum Chemical Analysis for the Proton Transfer of the System H_3NH~++ NH_3 气相离子&分子反应的研究Ⅰ.H3NH~++NH3体系质子传递的量化分析
Theoretical Mechanistic Study on the Ion-Molecule Reaction of C_2N~+ with HCN C2N~++HCN离子&分子反应机理的理论研究
The main methods are summarized, such as enantiomer-labelled, ion-molecule reaction and kinetic method. 其研究方法主要分为对映体标记法、离子分子反应法以及动力学方法等3类。