位置：成果数据库 > 期刊 > 期刊详情页
Characterization of Lewis Acid Sites in Metal-Organic Frameworks Using Density Functional Theory
  • ISSN号：1948-7185
  • 期刊名称：Journal of Physical Chemistry Letters
  • 时间：0
  • 页码：97-101
  • 语言：英文
  • 相关项目：热力学理论模型和分子系统的计算机模拟
作者： Zhong, Chongli|Liu, Dahuan|
同期刊论文项目
热力学理论模型和分子系统的计算机模拟
期刊论文 51
同项目期刊论文
金属-有机骨架材料中吸附气体的扩散速率
Effect of framework flexibility on diffusion of short alkanes in metal-organic framework
Effect of temperature on gas adsorption and separation in ZIF-8: A combined experimental and molecul
Study of the Influence of Ion-exchange on Carbon Dioxide Adsorption Capacity in usf-ZMOF
Stepped Behavior of Carbon Dioxide Adsorption in Metal-Organic Frameworks
Wetting behavior of spherical nanoparticles at a vapor-liquid interface: a density functional theory
Theoretical Study of Phase Transition, Surface Tension, and Nucleation Rate Predictions for Argon
Exceptional CO(2) Capture Capability and Molecular-Level Segregation in a Li-Modified Metal-Organic
Estimation of Framework Charges in Covalent Organic Frameworks Using Connectivity-Based Atom Contrib
Structure of poly(ethylene glycol)-water mixture studied by polymer reference interaction site model
Boundary of prewetting transition of Ar on a Li surface
Diffusion Rates of Gas Molecules Adsorbed in Metal-Organic Frameworks
Density Functional Theory Integrated with Renormalization Group Theory for Criticality of Nanoconfin
Understanding gas separation in metal-organic frameworks using computer modeling
A General Approach for Estimating Framework Charges in Metal-Organic Frameworks
Integral Equation Theory for Gas Sorption and Swelling of Glassy Atactic Polystyrene
A molecular simulation of diffusion mechanism of n-alkanes in copper(II) benzene-1,3,5-tricarboxylat
Morphology and Structure Control of Multicompartment Micelles from Triblock Copolymer Blends
Molecular Simulation Study of Hexane Diffusion in Dynamic Metal-Organic Frameworks
Improved Direct Correlation Function for Density Functional Theory Analysis of Pore Size Distributio
Computational Study on the Influences of Framework Charges on CO(2) Uptake in Metal-Organic Framewor
Negative Thermal Expansion in Covalent Organic Framework COF-102
新型储甲烷金属-有机骨架材料的设计
金属-有机骨架材料的计算化学研究
Adsorption of methane in heterometallic metal-organic frameworks with anions: a molecular simulation
Molecular Simulation of CO(2)/H(2) Mixture Separation in Metal-organic Frameworks: Effect of Catenat
Molecular simulation of hydrogen diffusion in interpenetrated metal-organic frameworks
离子交换对usf-ZMOF二氧化碳吸附能力影响的研究
二氧化碳在金属-有机骨架材料中吸附的阶梯现象
骨架柔性对短链烷烃分子在金属-有机骨架材料中扩散的影响
金属-有机骨架材料二聚铜-苯-1，3，5-三羧酸酯中烷烃扩散机理的分子模拟研究