Toward hydrogen storage material in fluorinated zirconium metal-organic framework (MOF-801): A periodic density functional theory (DFT) study of fluorination and adsorption

Hydrogen adsorption properties of in-situ synthesized Pt-decorated porous carbons templated from zeolite EMC-2

(2020) Zhuxian Yang et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

A fluorinated Zr-based MOF of high porosity for high CH4 storage

(2019) Dian Zhao et al.   JOURNAL OF SOLID STATE CHEMISTRY

Zirconium-Based Metal-Organic UiO-66, UiO-66-NDC and MOF-801 Frameworks. Influence of the Linker Effect on the Hydrogen Sorption Efficiency

(2019) K. S. Vetlitsyna-Novikova et al.   Journal of Surface Investigation-X-Ray Synchrotron and Neutron Techniques

BTEX removal from aqueous solution with hydrophobic Zr metal organic frameworks

(2018) Ricardo Navarro Amador et al.   JOURNAL OF ENVIRONMENTAL MANAGEMENT

High Volumetric Hydrogen Adsorption in a Porous Anthracene-Decorated Metal–Organic Framework

(2018) Yong Yan et al.   INORGANIC CHEMISTRY

Hydrogen adsorption on graphene sheets and nonporous graphitized thermal carbon black at low surface coverage

(2017) Z.W. Zhu et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Hydrogen adsorption on graphene sheets doped with group 8B transition metal: A DFT investigation

(2017) Chanukorn Tabtimsai et al.   VACUUM

Large-Scale Refinement of Metal−Organic Framework Structures Using Density Functional Theory

(2016) Dalar Nazarian et al.   CHEMISTRY OF MATERIALS

Density Functional Theory Study of Hydrogen Adsorption in a Ti-Decorated Mg-Based Metal-Organic Framework-74

(2016) Pitphichaya Suksaengrat et al.   CHEMPHYSCHEM

An efficient combination of Zr-MOF and microwave irradiation in catalytic Lewis acid Friedel–Crafts benzoylation

(2016) Tan L. H. Doan et al.   DALTON TRANSACTIONS

Prediction of hydrogen storage properties of Zr-based MOFs

(2016) Liangzhi Xia et al.   INORGANICA CHIMICA ACTA

Facile synthesis of morphology and size-controlled zirconium metal–organic framework UiO-66: the role of hydrofluoric acid in crystallization

(2015) Yitong Han et al.   CRYSTENGCOMM

cp2k: atomistic simulations of condensed matter systems

(2013) Jürg Hutter et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

New Hybrid Zirconium Aminophosphonates Containing Piperidine and Bipiperidine Groups

(2011) Marco Taddei et al.   INORGANIC CHEMISTRY

Ab initio and periodic DFT investigation of hydrogen storage on light metal-decorated MOF-5

(2011) Mudit Dixit et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

CO2 solvation free energy using quasi-chemical theory

(2011) Dian Jiao et al.   JOURNAL OF CHEMICAL PHYSICS

Toward Solar Fuels: Photocatalytic Conversion of Carbon Dioxide to Hydrocarbons

(2010) Somnath C. Roy et al.   ACS Nano

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

A density functional theory study on the interaction of hydrogen molecule with MOF-177

(2010) Ganga P. Dangi et al.   MOLECULAR SIMULATION

Electrostatic Potential Derived Atomic Charges for Periodic Systems Using a Modified Error Functional

(2009) Carlos Campañá et al.   Journal of Chemical Theory and Computation

Ab Initio Study of Hydrogen Adsorption in MOF-5

(2009) Kaido Sillar et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A New Zirconium Inorganic Building Brick Forming Metal Organic Frameworks with Exceptional Stability

(2008) Jasmina Hafizovic Cavka et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY