Quantum chemical calculations to elucidate the electronic and elastic properties of topologically equivalent metal organic frameworks

Mo Xiong, Neng Li, G. N. Greaves, Yuanzheng Yue, Xiujian Zhao

Type: Preprint

Publication Date: 2017-01-01

Citations: 2

DOI: https://doi.org/10.48550/arxiv.1712.07372

View Publication

Locations

arXiv (Cornell University) - View
DataCite API - View

Similar Works

Action	Title	Year	Authors
+ PDF Chat	Vibrational Modes and Terahertz Physical Phenomena Underpinning ZIF-71 Metal-Organic Framework	2021	Annika F. Möslein Jin‐Chong Tan
+	Vibrational Modes and Terahertz Physical Phenomena Underpinning ZIF-71 Metal-Organic Framework	2021	Annika F. Möslein Jin‐Chong Tan
+ PDF Chat	Anisotropic Elastic Properties of Flexible Metal-Organic Frameworks: How Soft are Soft Porous Crystals?	2012	Aurélie U. Ortiz Anne Boutin Alain H. Fuchs François‐Xavier Coudert
+ PDF Chat	Combining Brillouin spectroscopy and machine learned interatomic potentials to probe mechanical properties of metal organic frameworks	2024	Florian Lindner Nina Strasser Martin Schultze Sandro Wieser Christian Slugovc Kareem Elsayad Kristie J. Koski Egbert Zojer Caterina Czibula
+	Mechanical properties of 2D metal-organic and covalent-organic frameworks with non trivial topological band dispersion	2023	Priyadarshini Kapri Takuto Kawakami Mikito Koshino
+	ElATools: A tool for analyzing anisotropic elastic properties of the 2D and 3D materials	2021	Shahram Yalameha Zahra Nourbakhsh Daryoosh Vashaee
+	On the Elastic Anisotropy of the Entropy-Stabilized Oxide (Mg, Co, Ni, Cu, Zn)O	2020	Krishna Chaitanya Pitike Andrés Márquez-Rossy Alexis Flores‐Betancourt De Xin Chen Santosh KC Valentino R. Cooper Edgar Lara‐Curzio
+	On the Elastic Anisotropy of the Entropy-Stabilized Oxide (Mg, Co, Ni, Cu, Zn)O	2020	Krishna Chaitanya Pitike Andrés Márquez-Rossy Alexis Flores‐Betancourt De Xin Chen Santosh KC Valentino R. Cooper Edgar Lara‐Curzio
+ PDF Chat	Toward Coarse-Grained Elasticity of Single-Layer Covalent Organic Frameworks	2022	Alexander Croy Antonios Raptakis David Bodesheim Arezoo Dianat Gianaurelio Cuniberti
+ PDF Chat	Thermal and mechanical stability of zeolitic imidazolate frameworks polymorphs	2014	Lila Bouëssel Du Bourg Aurélie U. Ortiz Anne Boutin François‐Xavier Coudert
+ PDF Chat	Mechanical properties and nanostructure of monolithic zeolitic imidazolate frameworks: a nanoindentation, nanospectroscopy, and finite element study	2021	Michele Tricarico Jin‐Chong Tan
+	Force matching and iterative Boltzmann inversion coarse grained force fields for ZIF-8	2024	Cecilia M. S. Alvares Rocío Semino
+	Force Matching and Iterative Boltzmann Inversion Coarse Grained Force Fields for ZIF-8	2023	Cecilia M. S. Alvares Rocío Semino
+	Enhanced elastic stability of a topologically disordered crystalline metal--organic framework	2023	Emily G. Meekel P. G. Partridge Robert A. I. Paraoan Joshua J. B. Levinsky Ben Slater Claire L. Hobday Andrew L. Goodwin
+	A set of moment tensor potentials for zirconium with increasing complexity	2023	Yu Luo Jason Meziere G. D. Samolyuk Gus L. W. Hart Mark R. Daymond Laurent Karim Béland
+ PDF Chat	A Set of Moment Tensor Potentials for Zirconium with Increasing Complexity	2023	Yu Luo Jason Meziere G. D. Samolyuk Gus L. W. Hart Mark R. Daymond Laurent Karim Béland
+	Towards coarse-grained elasticity of single-layer Covalent Organic Frameworks	2022	Alexander Croy Antonios Raptakis David Bodesheim Arezoo Dianat Gianaurelio Cuniberti
+	Machine learned Force-Fields for an ab-initio Quality Description of Metal-Organic Frameworks	2023	Sandro Wieser Egbert Zojer
+	Unveiling the Regulatory Factors for Phase Transitions in Zeolitic Imidazolate Frameworks: A High-Throughout Calculations and Data Mining	2023	Zuhao Shi Bin Liu Yuanzheng Yue Arramel Arramel Neng Li
+ PDF Chat	Coarse-grained modeling of zeolitic imidazolate framework-8 using MARTINI force fields	2023	Cecilia M. S. Alvares Guillaume Maurin Rocío Semino

Works That Cite This (0)

Action	Title	Year	Authors

Works Cited by This (0)

Action	Title	Year	Authors