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New Compound Xen14 with High Energy Density
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Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/jcc.21759openalex-extracted
Effect of the damping function in dispersion corrected density functional theory
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Multiwfn: A multifunctional wavefunction analyzer
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LOBSTER: A tool to extract chemical bonding from plane‐wave based DFT
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A fast and robust algorithm for Bader decomposition of charge density
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CALYPSO: A method for crystal structure prediction
inferredcites →https://doi.org/10.1016/j.jallcom.2019.06.035openalex-extracted
New stable structures of HeN3 predicted using first-principles calculations
inferredcites →https://doi.org/10.1016/j.scriptamat.2015.07.021openalex-extracted
First principles phonon calculations in materials science
inferredcites →https://doi.org/10.1021/acs.chemmater.6b04538openalex-extracted
High-Pressure Synthesis of a Pentazolate Salt
inferredcites →https://doi.org/10.1021/acs.chemrev.9b00804openalex-extracted
Properties and Promise of Catenated Nitrogen Systems As High-Energy-Density Materials
inferredcites →https://doi.org/10.1021/acs.jpclett.5b00995openalex-extracted
Crystalline LiN5Predicted from First-Principles as a Possible High-Energy Material
inferredcites →https://doi.org/10.1021/acs.jpclett.8b00540openalex-extracted
High-Pressure Synthesized Lithium Pentazolate Compound Metastable under Ambient Conditions
inferredcites →https://doi.org/10.1021/acs.jpclett.9b02383openalex-extracted
Predictions on High-Power Trivalent Metal Pentazolate Salts
inferredcites →https://doi.org/10.1038/natrevmats.2017.5openalex-extracted
Materials discovery at high pressures
inferredcites →https://doi.org/10.1038/nchem.2716openalex-extracted
A stable compound of helium and sodium at high pressure
inferredcites →https://doi.org/10.1038/nmat1146openalex-extracted
Single-bonded cubic form of nitrogen
inferredcites →https://doi.org/10.1038/s41467-018-03200-4openalex-extracted
Route to high-energy density polymeric nitrogen t-N via He−N compounds
inferredcites →https://doi.org/10.1038/s41467-018-03284-yopenalex-extracted
Reactivity of He with ionic compounds under high pressure
inferredcites →https://doi.org/10.1038/s41467-019-12530-wopenalex-extracted
Synthesis of magnesium-nitrogen salts of polynitrogen anions
inferredcites →https://doi.org/10.1038/s41570-020-0213-0openalex-extracted
Chemistry under high pressure
inferredcites →https://doi.org/10.1038/srep34896openalex-extracted
Formation of xenon-nitrogen compounds at high pressure
inferredcites →https://doi.org/10.1039/d2tc01887jopenalex-extracted
Putting xenon and nitrogen under pressure: towards new layered and two-dimensional nitrogen allotropes with crown ether-like nanopores
inferredcites →https://doi.org/10.1063/1.1667908openalex-extracted
Chemistry of Detonations. I. A Simple Method for Calculating Detonation Properties of C–H–N–O Explosives
inferredcites →https://doi.org/10.1063/1.1718250openalex-extracted
Polymerization of nitrogen in sodium azide
inferredcites →https://doi.org/10.1063/1.3382344openalex-extracted
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
inferredcites →https://doi.org/10.1063/1.458517openalex-extracted
A simple measure of electron localization in atomic and molecular systems
inferredcites →https://doi.org/10.1063/1.4826636openalex-extracted
Polymerization of nitrogen in lithium azide
inferredcites →https://doi.org/10.1088/0256-307x/39/5/056102openalex-extracted
Pressure-Driven Ne-Bearing Polynitrides with Ultrahigh Energy Density
inferredcites →https://doi.org/10.1103/physrevb.103.l060102openalex-extracted
Helium-nitrogen mixtures at high pressure
inferredcites →https://doi.org/10.1103/physrevb.16.1748openalex-extracted
"Special points for Brillouin-zone integrations"—a reply
inferredcites →https://doi.org/10.1103/physrevb.50.17953openalex-extracted
Projector augmented-wave method
inferredcites →https://doi.org/10.1103/physrevb.54.11169openalex-extracted
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
inferredcites →https://doi.org/10.1103/physrevb.75.140101openalex-extracted
Low-pressure metastable phase of single-bonded polymeric nitrogen from a helical structure motif and first-principles calculations
inferredcites →https://doi.org/10.1103/physrevb.82.094116openalex-extracted
Crystal structure prediction via particle-swarm optimization
inferredcites →https://doi.org/10.1103/physrevb.92.094104openalex-extracted
Stable xenon nitride at high pressures
inferredcites →https://doi.org/10.1103/physrevb.94.174109openalex-extracted
Xe(N2)2 compound to 150 GPa: Reluctance to the formation of a xenon nitride
inferredcites →https://doi.org/10.1103/physrevlett.102.065501openalex-extracted
Novel High Pressure Structures of Polymeric Nitrogen
inferredcites →https://doi.org/10.1103/physrevlett.102.125702openalex-extracted
High-Pressure Phases of Nitrogen
inferredcites →https://doi.org/10.1103/physrevlett.109.175502openalex-extracted
Cagelike Diamondoid Nitrogen at High Pressures
inferredcites →https://doi.org/10.1103/physrevlett.111.175502openalex-extracted
Stable All-Nitrogen Metallic Salt at Terapascal Pressures
inferredcites →https://doi.org/10.1103/physrevlett.113.205502openalex-extracted
Pressure-Induced Symmetry-Lowering Transition in Dense Nitrogen to Layered Polymeric Nitrogen (LP-N) with Colossal Raman Intensity
inferredcites →https://doi.org/10.1103/physrevlett.115.105502openalex-extracted
High-Energy Density and Superhard Nitrogen-Rich B-N Compounds
inferredcites →https://doi.org/10.1103/physrevlett.122.066001openalex-extracted
Hexagonal Layered Polymeric Nitrogen Phase Synthesized near 250 GPa
inferredcites →https://doi.org/10.1103/physrevlett.124.216001openalex-extracted
High-Pressure Polymeric Nitrogen Allotrope with the Black Phosphorus Structure
inferredcites →https://doi.org/10.1103/physrevlett.77.3865openalex-extracted
Generalized Gradient Approximation Made Simple
inferredcites →https://doi.org/10.1103/physrevlett.78.4063openalex-extracted
First-Principles Determination of the Soft Mode in Cubic ZrO 2
inferredcites →https://doi.org/10.1103/physrevlett.93.125501openalex-extracted
Prediction of New Phases of Nitrogen at High Pressure from First-Principles Simulations
inferredcites →https://doi.org/10.1107/s0021889811038970openalex-extracted
VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data
inferredcites →https://doi.org/10.1107/s0567739478000121openalex-extracted
The electron density and bonding in beryllium metal as studied by Fourier methods
inferredcites →https://doi.org/10.1126/sciadv.aba9206openalex-extracted
Nitrogen in black phosphorus structure
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