Literature DB >> 17131450

Molecular dynamics simulation of benzene diffusion in MOF-5: importance of lattice dynamics.

Saeed Amirjalayer1, Maxim Tafipolsky, Rochus Schmid.   

Abstract

Entities:  

Year:  2007        PMID： 17131450     DOI： 10.1002/anie.200601746

Source DB:  PubMed          Journal:  Angew Chem Int Ed Engl        ISSN： 1433-7851            Impact factor:   15.336


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  8 in total

1.  A force field for dynamic Cu-BTC metal-organic framework.

Authors:  Lei Zhao; Qingyuan Yang; Qintian Ma; Chongli Zhong; Jianguo Mi; Dahuan Liu
Journal:  J Mol Model       Date:  2010-04-28       Impact factor: 1.810

Review 2.  Soft porous crystals.

Authors:  Satoshi Horike; Satoru Shimomura; Susumu Kitagawa
Journal:  Nat Chem       Date:  2009-11-23       Impact factor: 24.427

3.  An all-atom force field developed for Zn₄O(RCO₂)₆ metal organic frameworks.

Authors:  Yingxin Sun; Huai Sun
Journal:  J Mol Model       Date:  2014-02-22       Impact factor: 1.810

4.  Structural, energetic, and dynamic insights into the abnormal xylene separation behavior of hierarchical porous crystal.

Authors:  Jiao-Min Lin; Chun-Ting He; Pei-Qin Liao; Rui-Biao Lin; Jie-Peng Zhang
Journal:  Sci Rep       Date:  2015-06-26       Impact factor: 4.379

5.  Modeling of Disintegration and Dissolution Behavior of Mefenamic Acid Formulation Using Numeric Solution of Noyes-Whitney Equation with Cellular Automata on Microtomographic and Algorithmically Generated Surfaces.

Authors:  Reiji Yokoyama; Go Kimura; Christian M Schlepütz; Jörg Huwyler; Maxim Puchkov
Journal:  Pharmaceutics       Date:  2018-12-03       Impact factor: 6.321

6.  Atomistic Insight Into the Host-Guest Interaction of a Photoresponsive Metal-Organic Framework.

Authors:  Elena Kolodzeiski; Saeed Amirjalayer
Journal:  Chemistry       Date:  2020-01-21       Impact factor: 5.236

7.  Test study and molecular dynamics simulation of Fe3+ modified TiO2 absorbing automobile exhaust.

Authors:  Feng Lai; Hongliang Zhang; Kongfa Zhu; Man Huang
Journal:  PLoS One       Date:  2022-01-26       Impact factor: 3.240

8.  Extension of the QuickFF force field protocol for an improved accuracy of structural, vibrational, mechanical and thermal properties of metal-organic frameworks.

Authors:  Louis Vanduyfhuys; Steven Vandenbrande; Jelle Wieme; Michel Waroquier; Toon Verstraelen; Veronique Van Speybroeck
Journal:  J Comput Chem       Date:  2018-02-02       Impact factor: 3.376
  8 in total

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