Related references
Note: Only part of the references are listed.Gating effect for gas adsorption in microporous materials-mechanisms and applications
Kaifei Chen et al.
CHEMICAL SOCIETY REVIEWS (2022)
Ultrahigh selectivity of benzene/cyclohexane separation by ZIF-8 framework: Insights from spin-probe EPR spectroscopy
Artem S. Poryvaev et al.
MICROPOROUS AND MESOPOROUS MATERIALS (2022)
Metal-Organic Frameworks for CO2 Separation from Flue and Biogas Mixtures
Rupam Sahoo et al.
ADVANCED FUNCTIONAL MATERIALS (2022)
Fluorinated metal-organic frameworks for gas separation
Abtin Ebadi Amooghin et al.
CHEMICAL SOCIETY REVIEWS (2022)
Recent advances in direct air capture by adsorption
Xuancan Zhu et al.
CHEMICAL SOCIETY REVIEWS (2022)
Adsorption of iodine in metal-organic framework materials
Xinran Zhang et al.
CHEMICAL SOCIETY REVIEWS (2022)
Efficient and Highly Selective CO2 Capture, Separation, and Chemical Conversion under Ambient Conditions by a Polar-Group-Appended Copper(II) Metal-Organic Framework
Gouri Chakraborty et al.
INORGANIC CHEMISTRY (2021)
Robust Atomistic Modeling of Materials, Organometallic, and Biochemical Systems
Sebastian Spicher et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2020)
A Series of Mesoporous Metal-Organic Frameworks with Tunable Windows Sizes and Exceptionally High Ethane over Ethylene Adsorption Selectivity
Anna A. Lysova et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2020)
A Selenophene-Incorporated Metal-Organic Framework for Enhanced CO2 Uptake and Adsorption Selectivity
Pavel A. Demakov et al.
MOLECULES (2020)
A microporous, amino acid functionalized Zn(ii)-organic framework nanoflower for selective CO2 capture and solvent encapsulation
Shradha Gandhi et al.
MATERIALS ADVANCES (2020)
A multifunctional double walled zirconium metal-organic framework: high performance for CO2adsorption and separation and detecting explosives in the aqueous phase
Xiaodong Sun et al.
JOURNAL OF MATERIALS CHEMISTRY A (2020)
Three metal-organic framework isomers of different pore sizes for selective CO2 adsorption and isomerization studies
Rui Zhang et al.
DALTON TRANSACTIONS (2020)
Automated exploration of the low-energy chemical space with fast quantum chemical methods
Philipp Pracht et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2020)
GFN2-xTB-An Accurate and Broadly Parametrized Self-Consistent Tight-Binding Quantum Chemical Method with Multipole Electrostatics and Density-Dependent Dispersion Contributions
Christoph Bannwarth et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2019)
Exploration of Chemical Compound, Conformer, and Reaction Space with Meta-Dynamics Simulations Based on Tight-Binding Quantum Chemical Calculations
Stefan Grimme
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2019)
A Microporous Co-MOF for Highly Selective CO2 Sorption in High Loadings Involving Aryl C-H•••O=C=O Interactions: Combined Simulation and Breakthrough Studies
Arun Pal et al.
INORGANIC CHEMISTRY (2019)
Solvents-Dependent Formation of Three MOFs from the Fe3O Cluster and 3,3′,5,5′-Diphenyltetracarboxylic Acid and Their Selective CO2 Adsorption
Cong Chen et al.
INORGANIC CHEMISTRY (2019)
Tuning the Molecular and Cationic Affinity in a Series of Multifunctional Metal-Organic Frameworks Based on Dodecanuclear Zn(II) Carboxylate Wheels
Anna A. Lysova et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2019)
Enhancement of CO2 Uptake and Selectivity in a Metal-Organic Framework by the Incorporation of Thiophene Functionality
Vsevolod A. Bolotov et al.
INORGANIC CHEMISTRY (2018)
Guest-Induced Switchable Breathing Behavior in a Flexible Metal-Organic Framework with Pronounced Negative Gas Pressure
Yi-Xiang Shi et al.
INORGANIC CHEMISTRY (2018)
Ethane/ethylene separation in a metal-organic framework with iron-peroxo sites
Libo Li et al.
SCIENCE (2018)
A novel Zn-based heterocycle metal-organic framework for high C2H2/C2H4, CO2/CH4 and CO2/N2 separations
Ling Zhang et al.
JOURNAL OF SOLID STATE CHEMISTRY (2017)
Ultralow Parasitic Energy for Postcombustion CO2 Capture Realized in a Nickel lsonicotinate Metal-Organic Framework with Excellent Moisture Stability
Shyamapada Nandi et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2017)
Local Deprotonation Enables Cation Exchange, Porosity Modulation, and Tunable Adsorption Selectivity in a Metal-Organic Framework
Jun-Hao Wang et al.
CRYSTAL GROWTH & DESIGN (2017)
Many-body dispersion corrections for periodic systems: an efficient reciprocal space implementation
Tomas Bucko et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2016)
Seven chemical separations to change the world
David S. Sholl et al.
NATURE (2016)
Microporous Metal-Organic Framework Based on a Bifunctional Linker for Selective Sorption of CO2 over N2 and CH4
Di-Ming Chen et al.
INORGANIC CHEMISTRY (2015)
New Zr (IV) based metal-organic framework comprising a sulfur-containing ligand: Enhancement of CO2 and H2 storage capacity
Minyoung Yoon et al.
MICROPOROUS AND MESOPOROUS MATERIALS (2015)
Efficient purification of ethene by an ethane-trapping metal-organic framework
Pei-Qin Liao et al.
NATURE COMMUNICATIONS (2015)
SHELXT - Integrated space-group and crystal-structure determination
George M. Sheldrick
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES (2015)
PLATON SQUEEZE: a tool for the calculation of the disordered solvent contribution to the calculated structure factors
Anthony L. Spek
ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY (2015)
Crystal structure refinement with SHELXL
George M. Sheldrick
ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY (2015)
Long-range correlation energy calculated from coupled atomic response functions
Alberto Ambrosetti et al.
JOURNAL OF CHEMICAL PHYSICS (2014)
High CO2/N2/O2/CO separation in a chemically robust porous coordination polymer with low binding energy
Jingui Duan et al.
CHEMICAL SCIENCE (2014)
Capture of Carbon Dioxide from Air and Flue Gas in the Alkylamine-Appended Metal-Organic Framework mmen-Mg2(dobpdc)
Thomas M. McDonald et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2012)
Accurate and Efficient Method for Many-Body van der Waals Interactions
Alexandre Tkatchenko et al.
PHYSICAL REVIEW LETTERS (2012)
Microporous metal-organic framework with potential for carbon dioxide capture at ambient conditions
Shengchang Xiang et al.
NATURE COMMUNICATIONS (2012)
The Effect of Methyl Functionalization on Microporous Metal-Organic Frameworks' Capacity and Binding Energy for Carbon Dioxide Adsorption
Hui Liu et al.
ADVANCED FUNCTIONAL MATERIALS (2011)
Relationship between Channel and Sorption Properties in Coordination Polymers with Interdigitated Structures
Yuh Hijikata et al.
CHEMISTRY-A EUROPEAN JOURNAL (2011)
Effect of the Damping Function in Dispersion Corrected Density Functional Theory
Stefan Grimme et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2011)
Enhanced carbon dioxide capture upon incorporation of N,N '-dimethylethylenediamine in the metal-organic framework CuBTTri
Thomas M. McDonald et al.
CHEMICAL SCIENCE (2011)
Flexibility of Porous Coordination Polymers Strongly Linked to Selective Sorption Mechanism
Satoru Shimomura et al.
CHEMISTRY OF MATERIALS (2010)
A Robust Highly Interpenetrated Metal-Organic Framework Constructed from Pentanuclear Clusters for Selective Sorption of Gas Molecules
Zhangjing Zhang et al.
INORGANIC CHEMISTRY (2010)
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
Stefan Grimme et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
A Combined Experimental-Computational Investigation of Carbon Dioxide Capture in a Series of Isoreticular Zeolitic Imidazolate Frameworks
William Morris et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2010)
Selective binding and removal of organic molecules in a flexible polymeric material with stretchable metallosalen chains
Gao Li et al.
CHEMICAL COMMUNICATIONS (2009)
Guest-specific function of a flexible undulating channel in a 7,7,8,8-tetracyano-p-quinodimethane dimer-based porous coordination polymer
Satoru Shimomura et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2007)
Critical analysis and extension of the Hirshfeld atoms in molecules
Patrick Bultinck et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Synthesis, X-ray crystal structures, and gas sorption properties of pillared square grid nets based on paddle-wheel motifs: Implications for hydrogen storage in porous materials
H Chun et al.
CHEMISTRY-A EUROPEAN JOURNAL (2005)
Share Paper
