1. Chemistry Nobel for scientists who developed massively porous ‘super sponge’ materials
   2025/10/08 by Davide Castelvecchi, Miryam Naddaf · 1 voice · 2 citations
   Chemistry · Materials Science · #Carbon fibers #Massively parallel #Mesoporous Materials and Catalysis #Molecule #Porosity #Porphyrin and Phthalocyanine Chemistry #Supramolecular Chemistry and Complexes
2. Molecular Glass from Solution Self-Assembly
   2025/09/12 by Fei Nie, Dongpeng Yan · 5 citations
   Chemistry · Materials Science · #Aerogels and thermal insulation #Fabrication #Glass properties and applications #Material Dynamics and Properties #Molecule #Polymerization #Solvent #Supramolecular chemistry #Thermal #Thermal decomposition #Thermal stability
3. Unveiling ZIF-8 Nucleation Mechanisms through Molecular Simulation: Role of Temperature, Solvent, and Reactant Concentration
   2025/07/31 by Sahar Andarzi Gargari, Gargari, Sahar Andarzi, Rocio Semino +2 · 1 voice · 4 citations
   Chemistry · Engineering · Materials Science · #Amorphous solid #Binding energy #Calcium Carbonate Crystallization and Inhibition #Concrete and Cement Materials Research #Crystallization #Crystallization and Solubility Studies #Ion #Metal-Organic Frameworks: Synthesis and Applications #Molecular dynamics #Molecule #Nucleation #Phase (matter) #Solvent #Thermal and Kinetic Analysis
4. Absorption Intensities of Organic Molecules from Electronic Structure Calculations versus Experiments: the Effect of Solvation, Method, Basis Set, and Transition Moment Gauge
   2024/08/14 by Jorge C. Garcia-Alvarez, Samer Gozem · 1 voice
   Physics and Astronomy · Chemistry · Mathematics · #Spectroscopy and Quantum Chemical Studies #Photochemistry and Electron Transfer Studies #Advanced Chemical Physics Studies #Solvation #Basis set #Moment (physics) #Basis (linear algebra) #Gauge (firearms) #Set (abstract data type) #Chemical physics #Molecule #Organic molecules #Computational chemistry #Absorption (acoustics) #Chemistry #Electronic structure #Statistical physics #Materials science #Molecular physics #Atomic physics #Physics #Computer science #Quantum mechanics #Mathematics #Organic chemistry
5. Flexible Metal–Organic Frameworks: From Local Structural Design to Functional Realization
   2024/08/08 by Na Li, Jiandong Pang, Feifan Lang +2 · 12 citations
   Chemistry · Engineering · Materials Science · #Chemistry #Dendrimers and Hyperbranched Polymers #Materials science #Metal-Organic Frameworks: Synthesis and Applications #Metal-organic framework #Molecule #Nanoplatforms for cancer theranostics #Nanotechnology #Rational design #Supramolecular chemistry
6. Charge transfer effects in (HfNbTiVZr)C—Shown by ab initio calculations and X‐ray photoelectron spectroscopy
   2024/07/18 by Barbara Osinger, Luis Casillas‐Trujillo, Rebecka Lindblad +4 · 2 citations
   Chemistry · Engineering · #Ab initio #Ab initio quantum chemistry methods #Advanced materials and composites #Atomic physics #Binding energy #Carbide #Chemical bond #Chemical physics #Chemistry #Computational chemistry #Density functional theory #Electronegativity #Electronic structure #High Entropy Alloys Studies #Materials science #Metal and Thin Film Mechanics #Molecule #Nuclear magnetic resonance #Organic chemistry #Physical chemistry #Physics #X-ray photoelectron spectroscopy
7. Ab Initio Calculation of UV–vis Absorption of Parent Mg, Fe, Co, Ni, Cu, and Zn Metalloporphyrins
   2024/05/21 by G. Ganguly, Zdeněk Havlas, Josef Michl · 1 voice · 1 citation
   Chemistry · Engineering · Materials Science · #Ab initio #Ab initio quantum chemistry methods #Absorption (acoustics) #Absorption spectroscopy #Atomic physics #Chemistry #Complete active space #Computational chemistry #Configuration interaction #Coupling (piping) #Density functional theory #Inorganic chemistry #Metal-Catalyzed Oxygenation Mechanisms #Molecule #Multireference configuration interaction #Optics #Organic chemistry #Perturbation theory (quantum mechanics) #Photochemistry #Porphyrin and Phthalocyanine Chemistry #Quantum mechanics #Relativistic quantum chemistry #Spin–orbit interaction #Surface Chemistry and Catalysis
8. Force matching and iterative Boltzmann inversion coarse grained force fields for ZIF-8
   2023/12/08 by Cecilia M. S. Alvares, Alvares, Cecilia M. S., Rocío Semino +2 · 1 voice · 3 citations
   Chemistry · Engineering · Materials Science · Mathematics · #Biological system #Block Copolymer Self-Assembly #Boltzmann constant #Computer science #Force constant #Force field (fiction) #Matching (statistics) #Materials science #Mathematics #Metal-Organic Frameworks: Synthesis and Applications #Molecule #Nanopore and Nanochannel Transport Studies #Physics #Quantum mechanics #Statistical physics #Thermodynamics #Work (physics)
9. Biomedical applications of supramolecular hydrogels with enhanced mechanical properties
   2023/09/20 by Jiaqi Xu, Xiaoguang Zhu, Jiuhong Zhao +2 · 16 citations
   Biochemistry, Genetics and Molecular Biology · Chemistry · Materials Science · #Biocompatibility #Chemistry #Composite material #Covalent bond #Hydrogels: synthesis, properties, applications #Materials science #Mechanical strength #Molecule #Nanotechnology #Organic chemistry #Polymer chemistry #Polymer composites and self-healing #Self-healing hydrogels #Supramolecular Self-Assembly in Materials #Supramolecular chemistry #Supramolecular polymers
10. Local Chemical Clustering Enabled Ultrahigh Capacitive Energy Storage in Pb-Free Relaxors
    2023/08/22 by Hui Liu, Zheng Sun, Ji Zhang +11 · 8 citations
    Chemistry · Engineering · Materials Science · #Capacitive sensing #Chemical physics #Chemistry #Cluster analysis #Electrical engineering #Electronic and Structural Properties of Oxides #Energy storage #Ferroelectric and Piezoelectric Materials #Materials science #Molecule #Monte Carlo method #Nanotechnology #Physical chemistry #Physics #Polar #Polarizability #Polarization (electrochemistry) #Power (physics) #Semiconductor materials and devices #Thermodynamics
11. Origin of correlated isolated flat bands in copper-substituted lead phosphate apatite
    2023/07/31 by Sinéad M. Griffin, Griffin, Sinéad M. · 28 voices · 4 citations
    Chemistry · Materials Science · Physics and Astronomy · #Apatite #Chemical physics #Chemistry #Computational chemistry #Condensed matter physics #Copper #Density functional theory #Distortion (music) #Doping #Inorganic chemistry #Ion #Iron-based superconductors research #Lone pair #Materials science #Metallurgy #Mineralogy #Molecule #Physical chemistry #Physics #Physics of Superconductivity and Magnetism #Quantum mechanics #Rare-earth and actinide compounds #Stoichiometry #Superconductivity #cond-mat.mtrl-sci #cond-mat.str-el #cond-mat.supr-con
12. Molecular Electrostatic Potential Topology Analysis of Noncovalent Interactions
    2023/06/23 by Cherumuttathu H. Suresh, Sebastian Anila · 13 citations
    Chemistry · Mathematics · #Atoms in molecules #Chemical physics #Chemistry #Combinatorics #Computational chemistry #Crystallography and molecular interactions #Hydrogen bond #Intermolecular force #Lone pair #Mathematics #Molecule #Non-covalent interactions #Organic Chemistry Cycloaddition Reactions #Stereochemistry #Steric effects #Structural and Chemical Analysis of Organic and Inorganic Compounds #Topology (electrical circuits)
13. Hydrophilicity and hydrophobicity consideration of organic surfactant compounds: Effect of alkyl chain length on corrosion protection
    2022/06/25 by Chandrabhan Verma, M.A. Quraishi, K.Y. Rhee +1 · 17 citations
    Chemistry · Engineering · Materials Science · #Alkyl #Aqueous solution #Chemical engineering #Chemistry #Concrete Corrosion and Durability #Corrosion #Corrosion Behavior and Inhibition #Electrolyte #Hydrocarbon #Molecule #Organic chemistry #Physical chemistry #Pulmonary surfactant #Structural Integrity and Reliability Analysis #Substituent
14. Domino-like stacking order switching in twisted monolayer–multilayer graphene
    2022/04/21 by Shuai Zhang, Qiang Xu, Yuan Hou +9 · 1 citation
    Materials Science · Physics and Astronomy · #Bistability #Chemical physics #Condensed matter physics #Graphene #Graphene research and applications #Lattice (music) #Materials science #Mechanical and Optical Resonators #Metastability #Molecule #Monolayer #Nanotechnology #Optoelectronics #Physics #Quantum mechanics #Stacking #Topological Materials and Phenomena #van der Waals force
15. AlphaFold Accelerates Artificial Intelligence Powered Drug Discovery: Efficient Discovery of a Novel Cyclin-dependent Kinase 20 (CDK20) Small Molecule Inhibitor
    2022/01/21 by Feng Ren, Xiao Ding, Ren, Feng +44 · 1 voice
    Biochemistry, Genetics and Molecular Biology · Chemistry · Computer Science · Materials Science · #Artificial intelligence #Biochemistry #Biology #Chemistry #Combinatorial chemistry #Computational Drug Discovery Methods #Computational biology #Computer science #Drug discovery #Genetics, Bioinformatics, and Biomedical Research #Machine Learning in Materials Science #Materials science #Molecule #Nanotechnology #Selection (genetic algorithm) #Small molecule
16. Reducing Defects Density and Enhancing Hole Extraction for Efficient Perovskite Solar Cells Enabled by π‐Pb2+ Interactions
    2021/06/03 by Li‐Rong Wen, Yi Rao, Mingzhe Zhu +7 · 1 citation
    Engineering · Materials Science · Chemistry · #Perovskite Materials and Applications #Conducting polymers and applications #Organic Light-Emitting Diodes Research #Perovskite (structure) #Doping #Materials science #Density functional theory #Intermolecular force #Hysteresis #Extraction (chemistry) #Chemical physics #Work function #Molecule #Nanotechnology #Optoelectronics #Layer (electronics) #Computational chemistry #Chemistry #Crystallography #Condensed matter physics #Physics #Organic chemistry
17. Chiral Induced Spin Selectivity Gives a New Twist on Spin-Control in Chemistry
    2020/10/12 by Ron Naaman, Yossi Paltiel, David H. Waldeck · 31 citations
    Chemistry · Engineering · Materials Science · #Chemical physics #Chemistry #Electrochemical Analysis and Applications #Electron #Molecular Junctions and Nanostructures #Molecule #Organic chemistry #Physics #Porphyrin and Phthalocyanine Chemistry #Quantum mechanics #Spin (aerodynamics) #Spin engineering #Spin polarization
18. Surface chemistry of graphene and graphene oxide: A versatile route for their dispersion and tribological applications
    2020/07/29 by Ajay Chouhan, Harshal P. Mungse, Om P. Khatri · 19 citations
    Chemistry · Engineering · Materials Science · #Chemical engineering #Chemistry #Composite material #Diamond and Carbon-based Materials Research #Dispersion (optics) #Graphene #Graphene oxide paper #Lubricant #Lubricants and Their Additives #Lubrication #Materials science #Metallurgy #Molecule #Nanocomposite #Nanotechnology #Organic chemistry #Oxide #Surface modification #Tribology #Tribology and Wear Analysis #van der Waals force
19. Solid–Vapor Interface Engineered Covalent Organic Framework Membranes for Molecular Separation
    2020/07/10 by Niaz Ali Khan, Runnan Zhang, Hong Wu +6 · 20 citations
    Chemistry · Engineering · Materials Science · #Acetonitrile #Chemical engineering #Chemistry #Covalent Organic Framework Applications #Covalent bond #Covalent organic framework #Materials science #Membrane #Membrane Separation and Gas Transport #Metal-Organic Frameworks: Synthesis and Applications #Molecule #Nanotechnology #Organic chemistry #Permeance #Polymer #Polymer chemistry #Polymerization #Water vapor
20. Nanoparticle processing: Understanding and controlling aggregation
    2020/04/16 by Sweta Shrestha, Bo Wang, Prabir Dutta +1 · 32 citations
    Chemistry · Engineering · Materials Science · #Brownian motion #Chemical physics #Chemistry #Electrohydrodynamics and Fluid Dynamics #Gold and Silver Nanoparticles Synthesis and Applications #Materials science #Molecule #Nanoparticle #Nanoparticles: synthesis and applications #Nanotechnology #Physics #Quantum dot #Quantum mechanics #van der Waals force
21. Supramolecular Hydrogels with Tunable Chirality for Promising Biomedical Applications
    2020/03/27 by Xiaoqiu Dou, Nabila Mehwish, Changli Zhao +3 · 26 citations
    Biochemistry, Genetics and Molecular Biology · Chemistry · Materials Science · #Chemistry #Chirality (physics) #DNA and Nucleic Acid Chemistry #Materials science #Molecular Sensors and Ion Detection #Molecule #Nanotechnology #Organic chemistry #Physics #Self-healing hydrogels #Stacking #Supramolecular Self-Assembly in Materials #Supramolecular assembly #Supramolecular chemistry #Supramolecular chirality
22. Recent developments in nickel-catalyzed intermolecular dicarbofunctionalization of alkenes
    2020/01/01 by Joseph Derosa, Omar Apolinar, Taeho Kang +2 · 5 citations
    Chemistry · #Catalysis #Catalytic Alkyne Reactions #Catalytic Cross-Coupling Reactions #Catalytic C–H Functionalization Methods #Chemistry #Combinatorial chemistry #Computational chemistry #Intermolecular force #Molecule #Nickel #Organic chemistry
23. Constructive molecular configurations for surface-defect passivation of perovskite photovoltaics
    2019/12/20 by Rui Wang, Jingjing Xue, Kai‐Li Wang +19 · 31 citations
    Chemistry · Engineering · Materials Science · #Chalcogenide Semiconductor Thin Films #Chemical physics #Chemistry #Crystallography #Halide #Inorganic chemistry #Ion #Ionic bonding #Materials science #Molecule #Nanotechnology #Organic chemistry #Passivation #Perovskite (structure) #Perovskite Materials and Applications #Photovoltaic system #Photovoltaics #Quantum Dots Synthesis And Properties
24. The long-range attraction between hydrophobic macroscopic surfaces
    2019/06/07 by Patrick Kékicheff · 3 citations
    Chemistry · Energy · Environmental Science · #Adsorption #Aqueous solution #Chemical physics #Chemistry #Classical mechanics #Debye length #Electrostatics #Electrostatics and Colloid Interactions #Geometry #Hydrophobic effect #Ion #Ionic bonding #Ionic strength #Iron oxide chemistry and applications #London dispersion force #Minerals Flotation and Separation Techniques #Molecule #Monolayer #Physical chemistry #Physics #Scaling #Surface force #Surface forces apparatus #van der Waals force
25. Synthesis of AgN5 and its extended 3D energetic framework
    2018/03/28 by Chengguo Sun, Chong Zhang, Chao Jiang +6 · 4 citations
    Chemistry · Engineering · Materials Science · #Boron and Carbon Nanomaterials Research #Chemistry #Decomposition #Energetic Materials and Combustion #Energetic material #Energy density #Explosive material #Ion #MXene and MAX Phase Materials #Materials science #Molecule #Organic chemistry #Physics #Solvent #Theoretical physics #Thermal decomposition
26. Relativistic effects on inversion barriers of pyramidal group 15 hydrides
    2018/01/04 by Régis T. Santiago, Roberto L. A. Haiduke · 2 citations
    Physics and Astronomy · Chemistry · Mathematics · #Advanced Chemical Physics Studies #Atomic and Molecular Physics #Inorganic Fluorides and Related Compounds #Relativistic quantum chemistry #Chemistry #Scalar (mathematics) #Planar #Basis set #Ground state #Coupled cluster #Molecule #Electronic structure #Wave function #Atomic physics #Physics #Computational chemistry #Geometry #Density functional theory #Mathematics
27. Quantitative Evidence for Lanthanide-Oxygen Orbital Mixing in CeO2, PrO2, and TbO2
    2017/11/28 by Stefan G. Minasian, Enrique R. Batista, Corwin H. Booth +9 · 1 citation
    Materials Science · Chemistry · #Catalytic Processes in Materials Science #Electronic and Structural Properties of Oxides #Magnetic and transport properties of perovskites and related materials #Chemistry #Atomic orbital #X-ray absorption spectroscopy #Molecular orbital #Density functional theory #Lanthanide #Orbital overlap #Ionic bonding #Molecular orbital theory #Electronic structure #Atomic physics #Molecular physics #Absorption spectroscopy #Crystallography #Computational chemistry #Electron #Molecule #Ion #Physics
28. Water adsorption on carbon - A review
    2017/11/10 by Lumeng Liu, Shiliang (Johnathan) Tan, Shiliang Tan +4 · 26 citations
    Chemistry · Materials Science · #Adsorption #Advanced Physical and Chemical Molecular Interactions #Carbon fibers #Characterisation of pore space in soil #Chemical and Physical Properties of Materials #Chemical engineering #Chemical physics #Chemistry #Composite material #Composite number #Confined space #Graphene #Graphene research and applications #Materials science #Molecule #Nanotechnology #Organic chemistry #Porosity
29. Alkyne Benzannulation Reactions for the Synthesis of Novel Aromatic Architectures
    2017/11/07 by Samuel J. Hein, Dan Lehnherr, Hasan K. Arslan +4 · 19 citations
    Chemistry · #Alkyne #Aromaticity #Benzaldehyde #Catalysis #Catalytic Alkyne Reactions #Chemistry #Combinatorial chemistry #Coupling reaction #Cyclization and Aryne Chemistry #Cycloaddition #Electrophile #Electrophilic aromatic substitution #Molecule #Naphthalene #Nucleophilic aromatic substitution #Nucleophilic substitution #Organic chemistry #Steric effects #Synthesis and Properties of Aromatic Compounds
30. Strong texturing of lithium metal in batteries
    2017/10/30 by Feifei Shi, Allen Pei, Artūras Vailionis +6 · 26 citations
    Chemistry · Engineering · #Adsorption #Advanced Battery Materials and Technologies #Advanced Battery Technologies Research #Advancements in Battery Materials #Anode #Cathode #Chemical engineering #Chemistry #Computer science #Crystallography #Deposition (geology) #Diffraction #Electrode #Electrolyte #Image (mathematics) #Lithium (medication) #Lithium metal #Materials science #Metal #Metallurgy #Molecule #Morphology (biology) #Nanotechnology #Optics #Physical chemistry #Texture (cosmology)

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