Using collective knowledge to assign oxidation states of metal cations in metal–organic frameworks
出版年份 2021 全文链接
标题
Using collective knowledge to assign oxidation states of metal cations in metal–organic frameworks
作者
关键词
-
出版物
Nature Chemistry
Volume 13, Issue 8, Pages 771-777
出版商
Springer Science and Business Media LLC
发表日期
2021-07-06
DOI
10.1038/s41557-021-00717-y
参考文献
相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。- Benchmarking Coordination Number Prediction Algorithms on Inorganic Crystal Structures
- (2021) Hillary Pan et al. INORGANIC CHEMISTRY
- The limited predictive power of the Pauling rules
- (2020) Janine George et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Big-Data Science in Porous Materials: Materials Genomics and Machine Learning
- (2020) Kevin Maik Jablonka et al. CHEMICAL REVIEWS
- Materials Cloud, a platform for open computational science
- (2020) Leopold Talirz et al. Scientific Data
- A Million Crystal Structures: The Whole Is Greater than the Sum of Its Parts
- (2019) Robin Taylor et al. CHEMICAL REVIEWS
- Building a Consistent and Reproducible Database for Adsorption Evaluation in Covalent–Organic Frameworks
- (2019) Daniele Ongari et al. ACS Central Science
- Automated oxidation-state assignment for metal sites in coordination complexes in the Cambridge Structural Database
- (2019) Matthew G. Reeves et al. Acta Crystallographica Section B-Structural Science Crystal Engineering and Materials
- Matminer: An open source toolkit for materials data mining
- (2018) Logan Ward et al. COMPUTATIONAL MATERIALS SCIENCE
- Materials discovery by chemical analogy: role of oxidation states in structure prediction
- (2018) Daniel W. Davies et al. FARADAY DISCUSSIONS
- iRASPA: GPU-accelerated visualization software for materials scientists
- (2018) David Dubbeldam et al. MOLECULAR SIMULATION
- Materials discovery by chemical analogy: role of oxidation states in structure prediction
- (2018) Daniel W. Davies et al. FARADAY DISCUSSIONS
- Oxidation states and ionicity
- (2018) Aron Walsh et al. NATURE MATERIALS
- Resolving Transition Metal Chemical Space: Feature Selection for Machine Learning and Structure–Property Relationships
- (2017) Jon Paul Janet et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Electron Counting in Solids: Oxidation States, Partial Charges, and Ionicity
- (2017) Aron Walsh et al. Journal of Physical Chemistry Letters
- Predicting electronic structure properties of transition metal complexes with neural networks
- (2017) Jon Paul Janet et al. Chemical Science
- Assessing Local Structure Motifs Using Order Parameters for Motif Recognition, Interstitial Identification, and Diffusion Path Characterization
- (2017) Nils E. R. Zimmermann et al. Frontiers in Materials
- Comprehensive definition of oxidation state (IUPAC Recommendations 2016)
- (2016) Pavel Karen et al. PURE AND APPLIED CHEMISTRY
- Cu(i)Cu(ii)BTC, a microporous mixed-valence MOF via reduction of HKUST-1
- (2016) Adham Ahmed et al. RSC Advances
- The Cambridge Structural Database
- (2016) Colin R. Groom et al. Acta Crystallographica Section B-Structural Science Crystal Engineering and Materials
- Switching on elusive organometallic mechanisms with photoredox catalysis
- (2015) Jack A. Terrett et al. NATURE
- A Solid-Solution Approach to Mixed-Metal Metal-Organic Frameworks - Detailed Characterization of Local Structures, Defects and Breathing Behaviour of Al/V Frameworks
- (2013) Olesia Kozachuk et al. EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
- Reinterpretation of the bond-valence model with bond-order formalism: An improved bond-valence-based interatomic potential for PbTiO3
- (2013) Shi Liu et al. PHYSICAL REVIEW B
- Commentary: The Materials Project: A materials genome approach to accelerating materials innovation
- (2013) Anubhav Jain et al. APL Materials
- A Coordination Chemistry Study of Hydrated and Solvated Cationic Vanadium Ions in Oxidation States +III, +IV, and +V in Solution and Solid State
- (2012) Joanna Krakowiak et al. INORGANIC CHEMISTRY
- Correcting density functional theory for accurate predictions of compound enthalpies of formation: Fitted elemental-phase reference energies
- (2012) Vladan Stevanović et al. PHYSICAL REVIEW B
- Rigorous Definition of Oxidation States of Ions in Solids
- (2012) Lai Jiang et al. PHYSICAL REVIEW LETTERS
- VESTA 3for three-dimensional visualization of crystal, volumetric and morphology data
- (2011) Koichi Momma et al. JOURNAL OF APPLIED CRYSTALLOGRAPHY
- View of Lone Electron Pairs and Their Role in Structural Chemistry
- (2011) I. David Brown JOURNAL OF PHYSICAL CHEMISTRY A
- Influence of the Oxidation State of the Metal Center on the Flexibility and Adsorption Properties of a Porous Metal Organic Framework: MIL-47(V)
- (2011) Hervé Leclerc et al. Journal of Physical Chemistry C
- Selective Binding of O2over N2in a Redox–Active Metal–Organic Framework with Open Iron(II) Coordination Sites
- (2011) Eric D. Bloch et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Carbon oxidation state as a metric for describing the chemistry of atmospheric organic aerosol
- (2011) Jesse H. Kroll et al. Nature Chemistry
- Beyond the bond
- (2010) Philip Ball NATURE
- Facile Synthesis of Vanadium Metal-Organic Frameworks and their Magnetic Properties
- (2010) Andrea Centrone et al. Small
- Ensemble-based classifiers
- (2009) Lior Rokach ARTIFICIAL INTELLIGENCE REVIEW
- Recent Developments in the Methods and Applications of the Bond Valence Model
- (2009) Ian David Brown CHEMICAL REVIEWS
- A Piece of the Picture-Misunderstanding of Chemical Concepts
- (2008) Martin Jansen et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Charge self-regulation upon changing the oxidation state of transition metals in insulators
- (2008) Hannes Raebiger et al. NATURE
Find the ideal target journal for your manuscript
Explore over 38,000 international journals covering a vast array of academic fields.
SearchCreate your own webinar
Interested in hosting your own webinar? Check the schedule and propose your idea to the Peeref Content Team.
Create Now