Eva Zurek
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Eva Zurek's Degrees
- PhD Chemistry University of Warsaw
- Masters Chemistry University of Warsaw
Why Is Eva Zurek Influential?
(Suggest an Edit or Addition)According to Wikipedia, Eva Dagmara Zurek is a theoretical chemist, solid-state physicist and materials scientist. As a Professor of Chemistry at the University at Buffalo, Zurek studies the electronic structure, properties, and reactivity of a wide variety of materials using quantum mechanical calculations. She is interested in high pressure science, superhard, superconducting, quantum and planetary materials, catalysis, as well as solvated electrons and electrides. She develops algorithms to predict the structures of crystals, interfaces them with machine learning models, and applies them in materials discovery.
Eva Zurek's Published Works
Published Works
- Avogadro: an advanced semantic chemical editor, visualization, and analysis platform (2012) (5353)
- XtalOpt: An open-source evolutionary algorithm for crystal structure prediction (2011) (231)
- A little bit of lithium does a lot for hydrogen (2009) (217)
- Theoretical studies of the structure and function of MAO (methylaluminoxane) (2004) (139)
- A molecular perspective on lithium-ammonia solutions. (2009) (129)
- Density functional calculations of the 13C NMR chemical shifts in (9,0) single-walled carbon nanotubes. (2004) (128)
- Graphene-like Boron-Carbon-Nitrogen Monolayers. (2017) (122)
- High-temperature superconductivity in alkaline and rare earth polyhydrides at high pressure: A theoretical perspective. (2018) (114)
- Pressure-stabilized sodium polyhydrides: NaH(n) (n>1). (2011) (80)
- Decomposition Products of Phosphine Under Pressure: PH2 Stable and Superconducting? (2015) (78)
- Predicting crystal structures and properties of matter under extreme conditions via quantum mechanics: the pressure is on. (2015) (75)
- Modeling the dynamic equilibrium between oligomers of (AlOCH3)n in methylaluminoxane (MAO). A theoretical study based on a combined quantum mechanical and statistical mechanical approach. (2001) (71)
- Metallization of magnesium polyhydrides under pressure (2013) (70)
- Polyhydrides of the Alkaline Earth Metals: A Look at the Extremes under Pressure (2013) (68)
- Synthesis of Yttrium Superhydride Superconductor with a Transition Temperature up to 262 K by Catalytic Hydrogenation at High Pressures. (2021) (67)
- Rubidium polyhydrides under pressure: emergence of the linear H3(-) species. (2012) (63)
- AFLOW-ML: A RESTful API for machine-learning predictions of materials properties (2017) (63)
- Enantioselective copper-catalyzed carboetherification of unactivated alkenes. (2014) (62)
- High Hydrides of Scandium under Pressure: Potential Superconductors (2018) (62)
- Predicting superhard materials via a machine learning informed evolutionary structure search (2019) (61)
- Surface state engineering of molecule-molecule interactions. (2011) (61)
- Chemistry under high pressure (2020) (58)
- Reactivity of He with ionic compounds under high pressure (2018) (57)
- Identifying duplicate crystal structures: XtalComp, an open-source solution (2012) (56)
- Density functional study of the 13C NMR chemical shifts in small-to-medium-diameter infinite single-walled carbon nanotubes. (2006) (56)
- Toward the Identification of Dormant and Active Species in MAO (Methylaluminoxane)-Activated, Dimethylzirconocene-Catalyzed Olefin Polymerization (2002) (56)
- Theoretical study of the interactions between cations and anions in group IV transition-metal catalysts for single-site homogeneous olefin polymerization (2002) (56)
- High Pressure Potassium Polyhydrides: A Chemical Perspective (2012) (55)
- The Search for Superconductivity in High Pressure Hydrides (2018) (53)
- A combined quantum mechanical and statistical mechanical study of the equilibrium of trimethylaluminum (TMA) and oligomers of (AlOCH(3))(n) found in methylaluminoxane (MAO) solution. (2001) (50)
- Relativistic Density-Functional Computations of the Chemical Shift of 129Xe in Xe@C60 (2003) (50)
- Composition and Constitution of Compressed Strontium Polyhydrides (2014) (48)
- Compressed cesium polyhydrides: Cs+ sublattices and H3(-) three-connected nets. (2012) (47)
- A Review of Equation-of-State Models for Inertial Confinement Fusion Materials (2018) (46)
- Density Functional Study of the 13C NMR Chemical Shifts in Single-Walled Carbon Nanotubes with Stone−Wales Defects (2008) (45)
- Effects of Nonhydrostatic Stress on Structural and Optoelectronic Properties of Methylammonium Lead Bromide Perovskite. (2017) (42)
- A density functional study of the 13C NMR chemical shifts in functionalized single-walled carbon nanotubes. (2007) (40)
- Muffin-tin orbital Wannier-like functions for insulators and metals. (2005) (39)
- XtalOpt version r7: An open-source evolutionary algorithm for crystal structure prediction (2011) (39)
- Locking and Unlocking the Molecular Spin Crossover Transition (2017) (38)
- Self-assembly of strongly dipolar molecules on metal surfaces. (2015) (37)
- Route to high- Tc superconductivity via CH4 -intercalated H3S hydride perovskites (2020) (37)
- New Calcium Hydrides with Mixed Atomic and Molecular Hydrogen (2018) (36)
- Superconducting High-Pressure Phases Composed of Hydrogen and Iodine. (2015) (35)
- The 2021 room-temperature superconductivity roadmap (2021) (35)
- The Dynamic Equilibrium Between (AlOMe)n Cages and (AlOMe)n·(AlMe3)m Nanotubes in Methylaluminoxane (MAO): A First-Principles Investigation (2014) (34)
- A theoretical study of the insertion barrier of MAO methylaluminoxane)-activated, Cp2ZrMe2-catalyzed ethylene polymerization: further evidence for the structural assignment of active and dormant species. (2003) (33)
- Hydrides of the Alkali Metals and Alkaline Earth Metals Under Pressure (2017) (31)
- XtalOpt Version r12: An open-source evolutionary algorithm for crystal structure prediction (2019) (29)
- Dipole driven bonding schemes of quinonoid zwitterions on surfaces. (2012) (29)
- Epitaxial growth of aligned atomically precise chevron graphene nanoribbons on Cu(111). (2017) (29)
- Determining the Diameter of Functionalized Single-Walled Carbon Nanotubes with 13C NMR: A Theoretical Study (2008) (29)
- Lithium Subhydrides Under Pressure and their Superatom-Like Building Blocks (2012) (27)
- Self-Assembly and Molecular Recognition in Water: Tubular Stacking and Guest-Templated Discrete Assembly of Water-Soluble, Shape-Persistent Macrocycles. (2020) (26)
- Tuning chemical precompression: Theoretical design and crystal chemistry of novel hydrides in the quest for warm and light superconductivity at ambient pressures (2021) (25)
- The AFLOW Fleet for Materials Discovery (2017) (25)
- Superconductivity in Hydrides Doped with Main Group Elements Under Pressure (2017) (25)
- Superconducting Phases of Phosphorus Hydride Under Pressure: Stabilization by Mobile Molecular Hydrogen. (2017) (25)
- RandSpg: An open-source program for generating atomistic crystal structures with specific spacegroups (2017) (24)
- A density functional study of the 13C NMR chemical shifts in fluorinated single-walled carbon nanotubes. (2009) (24)
- (Barely) solid Li(NH3)4: the electronics of an expanded metal. (2011) (23)
- Pressure induced structural transitions in KH, RbH, and CsH (2012) (23)
- The XtalOpt Evolutionary Algorithm for Crystal Structure Prediction (2020) (23)
- Substituted Benzene Derivatives on the Cu(111) Surface (2012) (23)
- Proton transfer in surface-stabilized chiral motifs of croconic acid (2013) (22)
- NMR computations for carbon nanotubes from first principles: Present status and future directions (2009) (22)
- Coverage-Dependent Interactions at the Organics–Metal Interface: Quinonoid Zwitterions on Au(111) (2013) (21)
- Alkali metals in ethylenediamine: a computational study of the optical absorption spectra and NMR parameters of [M(en)3(δ+)·M(δ-)] ion pairs. (2011) (20)
- Accurate and precise ab initio anharmonic free-energy calculations for metallic crystals: Application to hcp Fe at high temperature and pressure (2017) (20)
- A computational experiment on single-walled carbon nanotubes (2013) (19)
- Kagome-like lattice of π-π stacked 3-hydroxyphenalenone on Cu(111). (2014) (19)
- M-graphene: a metastable two-dimensional carbon allotrope (2020) (18)
- DFT-D Investigation of Active and Dormant Methylaluminoxane (MAO) Species Grafted onto a Magnesium Dichloride Cluster: A Model Study of Supported MAO (2015) (18)
- Charge-Transfer-Induced Magic Cluster Formation of Azaborine Heterocycles on Noble Metal Surfaces (2016) (18)
- Crystal Structures and Properties of Iron Hydrides at High Pressure (2018) (18)
- Benzene derivatives adsorbed to the Ag(111) surface: Binding sites and electronic structure. (2015) (17)
- Theoretical predictions of novel superconducting phases of BaGe3 stable at atmospheric and high pressures. (2015) (17)
- Equation of state, adiabatic sound speed, and Grüneisen coefficient of boron carbide along the principal Hugoniot to 700 GPa (2016) (17)
- Crystal Structures and Electronic Properties of Single-Layer, Few-Layer, and Multilayer GeH (2016) (17)
- Magic electret clusters of 4-fluorostyrene on metal surfaces (2012) (17)
- Crystal Field Splitting is Limiting the Stability and Strength of Ultra-incompressible Orthorhombic Transition Metal Tetraborides (2016) (17)
- Extended Hückel Calculations on Solids Using the Avogadro Molecular Editor and Visualizer (2017) (16)
- XtalOpt version r9: An open-source evolutionary algorithm for crystal structure prediction (2011) (16)
- 2D Cocrystallization from H-Bonded Organic Ferroelectrics. (2016) (16)
- Compression of curium pyrrolidine-dithiocarbamate enhances covalency (2020) (16)
- Building egg-tray-shaped graphenes that have superior mechanical strength and band gap (2019) (15)
- Discovering New Materials via A Priori Crystal Structure Prediction (2016) (15)
- XtalOpt version r 9 : An open-source evolutionary algorithm for crystal structure prediction (2015) (14)
- Computation of Chemical Shifts for Paramagnetic Molecules: A Laboratory Experiment for the Undergraduate Curriculum. (2014) (14)
- Rhodizonic Acid on Noble Metals: Surface Reactivity and Coordination Chemistry (2013) (14)
- Computational Modeling of the Optical Rotation of Amino Acids: An ‘in Silico’ Experiment for Physical Chemistry (2013) (14)
- Identification of polybrominated diphenyl ether metabolites based on calculated boiling points from COSMO-RS, experimental retention times, and mass spectral fragmentation patterns. (2015) (14)
- Nuclear Magnetic Resonance Measurements and Electronic Structure of Pu(IV) in [(Me)4N]2PuCl6. (2016) (14)
- Computational prediction and analysis of the (27)Al solid-state NMR spectrum of methylaluminoxane (MAO) at variable temperatures and field strengths. (2016) (14)
- A Metastable CaSH3 Phase Composed of HS Honeycomb Sheets that is Superconducting Under Pressure. (2020) (13)
- Searching for the interlayer band and unravelling the bonding in beta-ThSi(2) and alpha-ThSi(2) with NMTO Wannier-like functions. (2010) (13)
- Electronic Structure of Iron Porphyrin Adsorbed to the Pt(111) Surface (2016) (12)
- Folding and Assembly of Short α, β, γ-Hybrid Peptides: Minor Variations in Sequence and Drastic Differences in Higher-Level Structures. (2019) (12)
- Computational materials discovery. (2022) (11)
- Superconductivity to 262 kelvin via catalyzed hydrogenation of yttrium at high pressures (2020) (11)
- XtalOpt version r11: An open-source evolutionary algorithm for crystal structure prediction (2018) (10)
- Modulating Bond Lengths via Backdonation : A First-Principles Investigation of a Quinonoid Zwitterion Adsorbed to Coinage Metal Surfaces (2016) (10)
- Chiral surface networks of 3-HPLN — A molecular analog of rounded triangle assembly (2014) (9)
- Effect of BN/CC Isosterism on the Thermodynamics of Surface and Bulk Binding: 1,2-Dihydro-1,2-azaborine vs Benzene (2015) (9)
- The Computational Design of Two-Dimensional Materials (2019) (9)
- Experimental and theoretical investigations of the thermodynamic stability of Ba-c(60) and K-C(60) compound clusters. (2008) (9)
- Magic alkali-fullerene compound clusters of extreme thermal stability. (2006) (9)
- A Computational Investigation of a Molecular Switch (2013) (9)
- Helical Folding of Meta-Connected Aromatic Oligoureas. (2017) (9)
- Properties of B 4 C in the shocked state for pressures up to 1.5 TPa (2017) (9)
- Reverse Turn Foldamers: An Expanded β-Turn Motif Reinforced by Double Hydrogen Bonds. (2020) (8)
- Materials under high pressure: a chemical perspective (2021) (8)
- Superalkali–Alkalide Interactions and Ion Pairing in Low-Polarity Solvents (2021) (8)
- A Little Bit of Carbon Can do a Lot for Superconductivity in H$_3$S (2021) (8)
- Low energy structural dynamics and constrained libration of Li(NH3)4, the lowest melting point metal. (2014) (8)
- XtalOpt Version r10: An open-source evolutionary algorithm for crystal structure prediction (2017) (8)
- Rational Design of Superconducting Metal Hydrides via Chemical Pressure Tuning. (2022) (7)
- Determination of the structures of molecularly imprinted polymers and xerogels using an automated stochastic approach. (2013) (7)
- Predicting Crystal Structures and Properties of Matter under Extreme Conditions via Quantum Mechanics: The Pressure is on (2015) (7)
- A First-Principles Exploration of NaxSy Binary Phases at 1 atm and Under Pressure (2019) (7)
- Density Functional Calculations of the 13C NMR Chemical Shifts in (9,0) Single‐Walled Carbon Nanotubes. (2004) (7)
- Structure and Proton-Transfer Mechanism in One-Dimensional Chains of Benzimidazoles (2016) (7)
- Interplay between Hydrogen Bonding, Epitaxy, and Charge Transfer in the Self-Assembly of Croconic Acid on Au(111) and Ag(111) (2015) (6)
- RbB3Si3: An Alkali Metal Borosilicide that is Metastable and Superconducting at 1 atm (2020) (6)
- Fluorides of silver under large compression. (2020) (6)
- Silanization of superficially porous silica particles with p-aminophenyltrimethoxysilane (2019) (6)
- Superfast Tetrazole-BCN Cycloaddition Reaction for Bioorthogonal Protein Labeling on Live Cells. (2021) (6)
- On the nature of Ge-Pb bonding in the solid state. Synthesis, structural characterization, and electronic structures of two unprecedented germanide-plumbides. (2012) (6)
- Pushing Towards Room-Temperature Superconductivity (2019) (6)
- Theoretical predictions of novel potassium chloride phases under pressure. (2015) (6)
- Pressure-Induced Superconductivity in the Wide-Band-Gap Semiconductor Cu2Br2Se6 with a Robust Framework (2020) (5)
- The Ideal Crystal Structure of Cristobalite X-I: A Bridge in SiO2 Densification (2018) (5)
- Structure, Stability and Superconductivity of N-doped Lutetium Hydrides at kbar Pressures (2023) (5)
- aflow++: A C++ framework for autonomous materials design (2022) (5)
- The Pressing Role of Theory in Studies of Compressed Matter (2017) (5)
- Predicted CsSi compound: a promising material for photovoltaic applications. (2020) (4)
- Structural motifs and bonding in two families of boron structures predicted at megabar pressures (2021) (4)
- The Microscopic Diamond Anvil Cell: Stabilization of Superhard, Superconducting Carbon Allotropes at Ambient Pressure. (2022) (4)
- Laser‐Induced Cooperative Transition in Molecular Electronic Crystal (2021) (4)
- Route to high-T_{c} superconductivity via CH_{4}- intercalated H_{3}S hydride perovskites (2020) (4)
- Electronic Structure and Superconductivity of Compressed Metal Tetrahydrides. (2021) (4)
- Crystal Structures and Electronic Properties of Xe–Cl Compounds at High Pressure (2018) (4)
- Density Functional Study of the 13 C NMR Chemical Shifts in Small-to-Medium-Diameter Infinite Single-Walled Carbon Nanotubes (3)
- Crystal structures of silicon-rich lithium silicides at high pressure (2019) (3)
- Pressure-induced yttrium oxides with unconventional stoichiometries and novel properties (2021) (3)
- Dimerization of cobalt-substituted Keggin phosphotungstate, [PW11O39Co(X)]5−, in nonpolar solvents (2014) (3)
- Modeling Methylaluminoxane (MAO) (2001) (3)
- Structural Diversity and Superconductivity in S–P–H Ternary Hydrides under Pressure (2022) (3)
- Density Functional Calculations of the $^{13}$C NMR Chemical Shifts in Single-Walled Carbon Nanotubes (2006) (3)
- Searching for the Interlayer Band and Unravelling the Bonding inβ-ThSi2 andα-ThSi2 with NMTO Wannier-like Functions (2009) (3)
- A theoretical investigation of the structure and function of MAO (methylaluminoxane) (2002) (3)
- Interplay of Halogen and Weak Hydrogen Bonds in the Formation of Magic Nanoclusters on Surfaces (2021) (2)
- Downfolding and N‐ization of Basis Sets of Slater Type Orbitals (2008) (2)
- An electrochemically controlled release of NHCs using iron bis(dithiolene) N-heterocyclic carbene complexes (2020) (2)
- Compressed Cesium Polyhydrides: Cs+ Sublattices and H3‐ Three‐Connected Nets. (2012) (2)
- Nature of the bonded-to-atomic transition in liquid silica to TPa pressures (2021) (2)
- The Li-F-H ternary system at high pressures. (2020) (2)
- Major Factors for the Persistent Folding of Hybrid α, β, γ-Hybrid Peptides Into Hairpins (2020) (2)
- Cristobalite X-I: A bridge between low and high density silica polymorphs (2017) (2)
- Dilute carbon in H3S under pressure (2022) (2)
- Topological electride phase of sodium at high pressures and temperatures (2022) (1)
- Anchoring effect of distorted octahedra on the stability and strength of platinum metal pernitrides (2019) (1)
- Nano-makisu: highly anisotropic two-dimensional carbon allotropes made by weaving together nanotubes. (2019) (1)
- Ultra-Tight Host-Guest Binding with Exceptionally Strong Positive Cooperativity. (2022) (1)
- Conventional High-Temperature Superconductivity in Metallic, Covalently Bonded, Binary-Guest C-B Clathrates. (2022) (1)
- Surface Magnetism in Pristine α Rhombohedral Boron and Intersurface Exchange Coupling Mechanism of Boron Icosahedra. (2021) (1)
- Density Functional Theory (DFT) studies of solids and molecules (2006) (1)
- Density Functional Studies of the 13C NMR Chemical Shifts in Single–Walled Carbon Nanotubes (2008) (1)
- Cover Picture: Lithium Subhydrides under Pressure and Their Superatom-like Building Blocks (ChemPlusChem 11/2012) (2012) (1)
- First principles investigation on how site preference and entropy affect the stability of (EuxM1–x)2Ge2Pb (M = Ca, Sr, Ba) polar intermetallics (2016) (1)
- The Microscopic Diamond Anvil Cell: Stabilization of Superhard, Superconducting Carbon Allotropes at Ambient Pressure (2022) (0)
- On the Nature of Ge—Pb Bonding in the Solid State. Synthesis, Structural Characterization, and Electronic Structures of Two Unprecedented Germanide‐Plumbides. (2013) (0)
- Hydrazonyl Sultones as Stable Tautomers of Highly Reactive Nitrile Imines for Fast Bioorthogonal Ligation Reaction. (2023) (0)
- A Computational Experiment Introducing Undergraduates to Geometry Optimizations, Vibrational Frequencies, and Potential Energy Surfaces (2023) (0)
- Astronomy 1-2016 2 D Cocrystallization from H ‐ Bonded Organic Ferroelectrics (2017) (0)
- Crystal structure of Earth's inner core: A first-principles study (2017) (0)
- Stable pseudo[3]rotaxanes with strong positive binding cooperativity based on shape-persistent aromatic oligoamide macrocycles. (2021) (0)
- Influence of Processing on the Microstructural Evolution and Multiscale Hardness in Titanium Carbonitrides (TiCN) Produced via Field Assisted Sintering Technology (2023) (0)
- Version r 12 : An Open – Source Evolutionary Algorithm for Crystal Structure Prediction (2019) (0)
- Beyond MgB 2 : high-temperature superconductivity in metallic covalently bonded C-B clathrates (2022) (0)
- Corrigendum to “RandSpg: An open-source program for generating atomistic crystal structures with specific spacegroups” [Comput. Phys. Comm. 213 (2017) 208–216] (2017) (0)
- New monoclinic ruthenium dioxide with highly selective hydrogenation activity (2022) (0)
- Reactivity of He with ionic compounds under high pressure (2018) (0)
- Surface induced bond strengthening via back donation : A first-principles discovery (2014) (0)
- Self-assembly and co-crystallization of ferroelectric organics on noble metal surfaces (2014) (0)
- Chemistry without Chemical Bonds: Reactivity of He with Ionic Compounds under High Pressure (2018) (0)
- Computational Discovery of New Materials Under Pressure (2017) (0)
- Density Functional Studies of Magic Metal-(C$_{60}$)$_2$ Clusters (2006) (0)
- Kagome-like lattice of p – p stacked 3-hydroxyphenalenone on Cu ( 111 ) † (2014) (0)
- Corrigendum: Ultra-Tight Host-Guest Binding with Exceptionally Strong Positive Cooperativity. (2023) (0)
- Electronic Structure and Superconductivity in Binary and Ternary Hydrides Under Pressure (2020) (0)
- Crystal Chemistry at High Pressure (2023) (0)
- Electronic Structure and Properties of Calcium and Iron Polyhydrides Under Pressure (2019) (0)
- Phase diagram and Equation of State of Boron Carbide (2014) (0)
- Avogadro with YAeHMOP Manual (2018) (0)
- Theoretical Prediction of Superhard Materials with the XtalOpt Evolutionary Algorithm (2019) (0)
- Anion-binding aromatic pentaamide macrocycles: Synthesis, high-affinity binding, transmembrane transport, and catalysis (2022) (0)
- Engineering of the Static Interface Dipole in Metal/Organic Nanohybrid Materials (2013) (0)
- Benzene Derivatives Adsorbed to the Ag(111) Surface: A Binding Site Study (2015) (0)
- Cover Feature: Electronic Structure and Superconductivity of Compressed Metal Tetrahydrides (Chem. Eur. J. 60/2021) (2021) (0)
- Two dimensional cocrystallization of hydrogen bonding molecules adsorbed to Au(111) (2021) (0)
- First principles predictions of NaH$_{x}$ (x=2--6) at high pressures (2010) (0)
- Laser‐Induced Cooperative Transition in Molecular Electronic Crystal (Adv. Mater. 39/2021) (2021) (0)
- Bonding at the Metal-Organic Interface (2015) (0)
- Self-assembled structurally complex double-layers of 3-HPLN on Cu(111) (2013) (0)
- Designing Ternary Superconducting Hydrides with A15-Type Structure at Moderate Pressures (2023) (0)
- Surface state engineering of molecule–molecule interactions Surface state engineering of molecule–molecule interactions (2019) (0)
- Electrochemical Atomic Force Microscopy and First-Principles Calculations of Ferriprotoporphyrin Adsorption and Polymerization. (2018) (0)
- Intercalating Helium into A-site Vacant Perovskites (2023) (0)
- Insight into the Adsorption Structure of TIPS-Pentacene on Noble Metal Surfaces (2022) (0)
- Halogen and structure sensitivity of halobenzene adsorption on copper surfaces. (2022) (0)
- Density functional calculations of NMR chemical shifts in carbon nanotubes (2011) (0)
- Applying Density Functional Theory to Common Organic Mechanisms: A Computational Exercise (2022) (0)
- NMTO Wannier-like functions for insulators and metals (2005) (0)
- Wannier-Like Functions of Cesium Under High Pressure (2006) (0)
- Unusual Stoichiometries of Hydrogen and Iodine Under Pressure (2013) (0)
- Building a Chemical Intuition Under Pressure: Prediction of Alkali Metal Polyhydrides and Subhydrides (2013) (0)
- Design of Ternary Ca-S-H System that are Superconducting Under Pressure (2020) (0)
- Erratum: Pressure-induced yttrium oxides with unconventional stoichiometries and novel properties [Phys. Rev. Materials 5, 044802 (2021)] (2021) (0)
- AB 3 Si 3 (A= Na, K, Rb, Cs), the alkali metal borosilicide in sodalite structure with superconductivity under high pressure (2020) (0)
- Charge Transfer Induced Band Gap Closure: Trend in Rare Earth Tetrahydrides Discovered under Pressure (2020) (0)
- Pushing Towards Room-Temperature Superconductivity Two independent studies report superconductivity at record high temperatures in hydrogen-rich materials under extreme pressure (2019) (0)
- Materials genome approach to organic ferroelectrics and piezoelectrics (2019) (0)
- Copper-catalyzed enantioselective alkene carboetherification for the synthesis of saturated six-membered cyclic ethers. (2021) (0)
- Theoretical Investigation of Ternary Hydrogen-Rich Materials under Pressure (2019) (0)
- Reliable folding of hybrid tetrapeptides into short β-hairpins (2021) (0)
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