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References from Crystalline Structures and Energetic Properties of Lithium Pentazolate under Ambient Conditions. Local targets link to admitted publications; unresolved targets remain external evidence.
Recent advances in the syntheses and properties of polynitrogen pentazolate anion cyclo-N5– and its derivatives
10.1039/c8cs00372f · 2018 · External reference
Zur Lösung eines klassischen Problems der organischen Stickstoff-Chemie
10.1002/ange.19560682212 · 1956 · External reference
Pentaaza- and pentaphosphacyclopentadienide anions and their lithium and sodium derivatives: structures and stabilities
10.1021/j100133a013 · 1993 · External reference
Enthalpies of Formation of Gas-Phase N3, N3-, N5+, and N5- from Ab Initio Molecular Orbital Theory, Stability Predictions for N5+N3- and N5+N5-, and Experimental Evidence for the Instability of N5+N3
10.1021/ja0303182 · 2004 · External reference
Super high-energy density single-bonded trigonal nitrogen allotrope-a chemical twin of the cubic gauche form of nitrogen
10.1039/c6cp08723j · 2017 · External reference
A carbon-free inorganic–metal complex consisting of an all-nitrogen pentazole anion, a Zn(ii) cation and H2O
10.1039/c7dt03231e · 2017 · External reference
Emergence of Novel Polynitrogen Molecule-like Species, Covalent Chains, and Layers in Magnesium–Nitrogen MgxNy Phases under High Pressure
10.1021/acs.jpcc.7b00474 · 2017 · External reference
Novel All-Nitrogen Molecular Crystals of Aromatic N10
10.1002/advs.201902320 · 2020 · External reference
Thermal stability of p-dimethylaminophenylpentazole
10.1039/c4ra08454c · 2014 · External reference
A series of energetic metal pentazolate hydrates
10.1038/nature23662 · 2017 · External reference
Synthesis and characterization of the pentazolate anioncyclo-N5̅ in (N5)6(H3O)3(NH4)4Cl
10.1126/science.aah3840 · 2017 · External reference
A Symmetric Co(N5)2(H2O)4·4 H2O High-Nitrogen Compound Formed by Cobalt(II) Cation Trapping of a Cyclo-N5– Anion
10.1002/anie.201701070 · 2017 · External reference
Roads to pentazolate anion: a theoretical insight
10.1098/rsos.172269 · 2018 · External reference
Stabilization of the Pentazolate Anion in Three Anhydrous and Metal-Free Energetic Salts
10.1002/asia.201800187 · 2018 · External reference
Self-assembled energetic 3D metal-organic framework [Na8(N5)8(H2O)3]n based on cyclo-N5–
10.1039/c7dt04501h · 2018 · External reference
Origin of the considerably high thermal stability of cyclo-N5– containing salts at ambient conditions
10.1039/c9ce00276f · 2019 · External reference
Synthesis and Characterization of cyclo-Pentazolate Salts of NH4+, NH3OH+, N2H5+, C(NH2)3+, and N(CH3)4+
10.1021/jacs.8b05106 · 2018 · External reference
Dual Functions of Water in Stabilizing Metal-Pentazolate Hydrates [M(N5)2(H2O)4]·4H2O (M = Mn, Fe, Co, and Zn) High-Energy-Density Materials
10.1021/acs.jpcc.8b06671 · 2018 · External reference
Pentazole anion cyclo-N5–: a rising star in nitrogen chemistry and energetic materials
10.1007/s11426-018-9276-1 · 2018 · External reference
Self-assembled energetic coordination polymers based on multidentate pentazole cyclo-N5–
10.1007/s40843-018-9268-0 · 2018 · External reference
Syntheses, Crystal Structures and Properties of a Series of 3D Metal-Inorganic Frameworks Containing Pentazolate Anion
10.1002/asia.201800476 · 2018 · External reference
Structure, stability and intramolecular interaction of M(N5)2 (M = Mg, Ca, Sr and Ba) : a theoretical study
10.1039/c5ra00818b · 2015 · External reference
Crystalline LiN5 Predicted from First-Principles as a Possible High-Energy Material
10.1021/acs.jpclett.5b00995 · 2015 · External reference
Novel lithium-nitrogen compounds at ambient and high pressures
10.1038/srep14204 · 2015 · External reference
High-Pressure Synthesized Lithium Pentazolate Compound Metastable under Ambient Conditions
10.1021/acs.jpclett.8b00540 · 2018 · External reference
Predictions on High-Power Trivalent Metal Pentazolate Salts
10.1021/acs.jpclett.9b02383 · 2019 · External reference
Pressure-Stabilized High-Energy-Density Alkaline-Earth-Metal Pentazolate Salts
10.1021/acs.jpcc.8b12527 · 2019 · External reference
Simple Route to Metal cyclo-N5– Salt: High-Pressure Synthesis of CuN5
10.1021/acs.jpcc.8b08924 · 2018 · External reference
Moderate Pressure Stabilized Pentazolate Cyclo-N5–Anion in Zn(N5)2 Salt
10.1021/acs.inorgchem.0c00097 · 2020 · External reference
Pentazole and Ammonium Pentazolate: Crystalline Hydro-Nitrogens at High Pressure
10.1021/acs.jpca.6b12900 · 2017 · External reference
Novel Potassium Polynitrides at High Pressures
10.1021/acs.jpca.7b08974 · 2017 · External reference
Direct Reaction of Nitrogen and Lithium up to 75 GPa: Synthesis of the Li3N, LiN, LiN2, and LiN5 Compounds
10.1021/acs.inorgchem.8b01325 · 2018 · External reference
Packing high-energy together: Binding the power of pentazolate and high-valence metals with strong bonds
10.1016/j.matdes.2020.108820 · 2020 · External reference
Stabilization of the High-Energy-Density CuN5 Salts under Ambient Conditions by a Ligand Effect
10.1021/acsomega.0c00634 · 2020 · External reference
Prediction of Stable Energetic Beryllium Pentazolate Salt under Ambient Conditions
10.1039/d0ce00780c · 2020 · External reference
CALYPSO: A method for crystal structure prediction
10.1016/j.cpc.2012.05.008 · 2012 · External reference
CALYPSO structure prediction method and its wide application
10.1016/j.commatsci.2015.09.037 · 2016 · External reference
Interface structure prediction via CALYPSO method
10.1016/j.scib.2019.02.009 · 2019 · External reference
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
10.1016/0927-0256(96)00008-0 · 1996 · External reference
Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis set
10.1103/physrevb.54.11169 · 1996 · External reference
From ultrasoft pseudopotentials to the projector augmented-wave method
10.1103/physrevb.59.1758 · 1999 · External reference
Generalized Gradient Approximation Made Simple
10.1103/physrevlett.77.3865 · 1996 · External reference
Special points for Brillouin-zone integrations
10.1103/physrevb.13.5188 · 1976 · External reference
Distributions of phonon lifetimes in Brillouin zones
10.1103/physrevb.91.094306 · 2015 · External reference
First principles methods using CASTEP
10.1524/zkri.220.5.567.65075 · 2005 · External reference
High-pressure phases of nitrogen
10.1103/physrevlett.102.125702 · 2009 · External reference
Predicted Novel High-Pressure Phases of Lithium
10.1103/physrevlett.106.015503 · 2011 · External reference
qvasp: A Flexible Toolkit for VASP Users in Materials Simulations
10.1016/j.cpc.2020.107535 · 2020 · External reference
Detection of pentazolate anion (cyclo-N5–) from laser ionization and decomposition of solid p-dimethylaminophenylpentazole
10.1016/j.cplett.2003.08.081 · 2003 · External reference
Improved grid-based algorithm for Bader charge allocation
10.1002/jcc.20575 · 2007 · External reference
Accurate and efficient algorithm for Bader charge integration
10.1063/1.3553716 · 2011 · External reference
LOBSTER: A tool to extract chemical bonding from plane-wave based DFT
10.1002/jcc.24300 · 2016 · External reference