Molecular Dynamics Simulation of Dynamic Solvation Effect in the Collision of I_2^-(CO_2)_n Cluster with Si Surface

スポンサーリンク

概要

• 論文の詳細を見る

• Cluster-surface collision induced dissociation of an I_2^- molecule initially embedded in a I_2^-(CO_2)_n cluster was investigated. Molecular dynamics simulation which provides a microscopic description for energy acquisition in the cluster-surface impact. The trajectory calculations using a realistic Si surface model indicate that the collisions of I_2^-(CO_2)_n with a Si surface can be treated as perfectly elastic ones. The dissociation probability of I_2^- was computed for I_2^-(CO_2)_n with n=0-6 on the basis of a hard-wall model. The size dependence of the dissociation probability ascribable to the wedge effect by a CO_2 molecule located halfway between the I atoms, which is consistent with experimental result by Yasumatsu et al.cluster-surfaoe collisionmolecular-dynamics simulationsolvation effectSi potential

• 東北大学の論文
• 1996-03-22

著者

• Kanda Kazuhiro

  Department Of Fundamental Science College Of Science And Engineering Iwaki Meisei University

• KONDOW Tamotsu

  Department of Chemistry,Faculty of Science,The University of Tokyo

• Kondow Tamotsu

  Department Of Chemistry Faculty Of Science The University Of Tokyo

• Yasumatsu Hisato

  Institute of Physical and Chemical Research

関連論文

• A Note on the Surprisal Analysis of Molecular Fragments Produced in a Two-Step Dissociation
• Efficacy and Toxicity of Vinorelbine with Doxorubicin/Cyclophosphamide Combination Chemotherapy in a Phase I-II Study for Advanced or Recurrent Breast Cancer Patients
• Molecular Dynamics Simulation of Dynamic Solvation Effect in the Collision of I_2^-(CO_2)_n Cluster with Si Surface
• Breathing Vibration of Ar Clusters Analyzed by Molecular Dynamics Calculation : Cluster-Shape Dependence of the Mode-Separation
• Alcoholysis of Benzotrichloride Studied by Liquid Beam - Multiphoton Ionization Technique
• Measurement of Differential Cross Sections of Low-Energy Electrons Elastically Scattered by Gas Molecules.III.Effect of Intramolecular Double Scattering as Observed in the Scattering of 70-400 eV Electrons by Carbon Tetrachloride
• Measurements of Differential Cross Sections of Low-Energy Electrons Elastically Scattered by Gas Molecules.II.Scattering of 200-500 eV Electrons by Molecular Oxygen
• Ionizing Collisions of Long-Lived Highly Excited Hydrogen Molecules with H_2O and SF_6
• Collision Dynamics of Argon Cluster Ions, Ar^+_n (n=3-23) : Molecular Dynamics Simulation Based on Diatomics-in-Molecules Method
• Formation of Negative Cluster Ions by Collisional Electron Transfer from High-Rydberg Rare Gas Atoms (佐々木申二名誉教授卆寿記念号)
• The Reactivity of Electron Donor-acceptor Complexes. The Effect of the Complex Formation on the Reduction of Methylene Blue in the Presence of Aromatic Hydrocarbons
• Catalytic activity of silver and gold metals doped with alkali metals.
• Violet emission bands of the CN radical produced by photodissociation of BrCN.

もっと見る 閉じる

スポンサーリンク