位置：成果数据库 > 期刊 > 期刊详情页
From Atoms to Fullerene: Stochastic Surface Walking Solution for Automated Structure Prediction of C
  • ISSN号：1549-9618
  • 期刊名称：Journal of Chemical Theory and Computation
  • 时间：2013.7
  • 页码：3252-3260
  • 相关项目：固液界面光催化反应的第一性原理理论模拟和预测
作者： Shang, Cheng|Shang, Cheng|Liu, Zhi-Pan|Liu, Zhi-Pan|
同期刊论文项目
固液界面光催化反应的第一性原理理论模拟和预测
期刊论文 108
同项目期刊论文
Constrained Broyden Dimer Method with Bias Potential for Exploring Potential Energy Surface of Multi
Infrared Photodissociation Spectroscopy of Mass Selected Homoleptic Copper Carbonyl Cluster Cations
Tafel Kinetics of Electrocatalytic Reactions: from Experiment to First Principles
Stochastic surface walking method for crystal structure and phase transition pathway prediction
Small Molecule-Mediated Control of Hydroxyapatite Growth: Free Energy Calculations Benchmarked to De
自动化势能面搜索方法新进展
Atomic Structure of Heterophase Junction from Theoretical Prediction
Reaction sampling and reactivity prediction using the stochastic surface walking method
Three-phase junction for modulating electron-hole migration in anatase-rutile photocatalysts
Design and Observation of Biphase TiO2 Crystal with Perfect Junction
Observation of an all-boron fullerene
Mechanism and active site of photocatalytic water splitting on titania in aqueous surroundings
Stochastic Surface Walking Method for Structure Prediction and Pathway Searching
Dual reaction channels for photocatalytic oxidation of phenylmethanol on anatase
Restructuring and Hydrogen Evolution on Pt Nanoparticle
Confined platinum nanoparticle in carbon nanotube: structure and oxidation