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A strategy for predicting the crystal structure of energetic N -oxides based on molecular similarity and electrostatic matching
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/9780470059364openalex-snapshot
Organic Chemistry of Explosives
inferredcites →https://doi.org/10.1002/ange.201908709openalex-snapshot
Achieving Balanced Energetics through Cocrystallization
inferredcites →https://doi.org/10.1002/anie.201104164openalex-snapshot
Improved Stability and Smart‐Material Functionality Realized in an Energetic Cocrystal
inferredcites →https://doi.org/10.1002/anie.201605611openalex-snapshot
Synthesis of Tetrazino‐tetrazine 1,3,6,8‐Tetraoxide (TTTO)
inferredcites →https://doi.org/10.1002/anie.201908709openalex-snapshot
Achieving Balanced Energetics through Cocrystallization
inferredcites →https://doi.org/10.1002/jcc.20495openalex-snapshot
Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction
inferredcites →https://doi.org/10.1002/jcc.21182openalex-snapshot
Extensive theoretical studies of a new energetic material: Tetrazino‐tetrazine‐tetraoxide (TTTO)
inferredcites →https://doi.org/10.1002/jcc.23369openalex-snapshot
Evaluation of electrostatic descriptors for predicting crystalline density
inferredcites →https://doi.org/10.1002/jcc.23893openalex-snapshot
Prediction of the crystal packing of di‐tetrazine‐tetroxide (DTTO) energetic material
inferredcites →https://doi.org/10.1002/prep.201400259openalex-snapshot
Are DTTO and iso‐DTTO Worthwhile Targets for Synthesis?
inferredcites →https://doi.org/10.1002/prep.201500349openalex-snapshot
High Performance, Low Sensitivity: Conflicting or Compatible?
inferredcites →https://doi.org/10.1002/prep.201880931openalex-snapshot
Origins of the Energy and Safety of Energetic Materials and of the Energy & Safety Contradiction
inferredcites →https://doi.org/10.1002/series1078openalex-snapshot
PATAI'S Chemistry of Functional Groups
inferredcites →https://doi.org/10.1007/bf02494628openalex-snapshot
A quantum-chemical study of 1,2,3,4,5,6,7,8-octaazanaphthalene and itsN-oxides
inferredcites →https://doi.org/10.1007/s00214-007-0310-xopenalex-snapshot
The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals
inferredcites →https://doi.org/10.1007/s00894-010-0953-8openalex-snapshot
Sensitivity and the available free space per molecule in the unit cell
inferredcites →https://doi.org/10.1007/s00894-016-2951-yopenalex-snapshot
Theoretical study of the effect of N-oxides on the performances of energetic compounds
inferredcites →https://doi.org/10.1007/s00894-017-3507-5openalex-snapshot
Study on the computer-aided design of high energetic compounds based on the 1,2,3,4-tetrazine-1,3-dioxide frame
inferredcites →https://doi.org/10.1016/b978-0-12-411544-6.00028-5openalex-snapshot
Advances in Quantum Chemistry
inferredcites →https://doi.org/10.1016/b978-0-12-800345-9.00001-5openalex-snapshot
Detonation Performance and Sensitivity
inferredcites →https://doi.org/10.1016/b978-0-12-809835-6.00013-xopenalex-snapshot
Molecular Crystal Structure Prediction
inferredcites →https://doi.org/10.1016/c2015-0-06383-3openalex-snapshot
Non-Covalent Interactions in Quantum Chemistry and Physics
inferredcites →https://doi.org/10.1021/acs.cgd.6b01409openalex-snapshot
Enhanced Intermolecular Hydrogen Bonds Facilitating the Highly Dense Packing of Energetic Hydroxylammonium Salts
inferredcites →https://doi.org/10.1021/acs.cgd.8b00704openalex-snapshot
Polymorphism of Energetic Materials: A Comprehensive Study of Molecular Conformers, Crystal Packing, and the Dominance of Their Energetics in Governing the Most Stable Polymorph
inferredcites →https://doi.org/10.1021/acs.cgd.8b00929openalex-snapshot
Crystal Engineering for Creating Low Sensitivity and Highly Energetic Materials
inferredcites →https://doi.org/10.1021/acs.jpca.6b08852openalex-snapshot
Influence of N-Oxide Introduction on the Stability of Nitrogen-Rich Heteroaromatic Rings: A Quantum Chemical Study
inferredcites →https://doi.org/10.1021/ja5126275openalex-snapshot
Energetic Salts with π-Stacking and Hydrogen-Bonding Interactions Lead the Way to Future Energetic Materials
inferredcites →https://doi.org/10.1021/jacs.5b00661openalex-snapshot
Energetic–Energetic Cocrystals of Diacetone Diperoxide (DADP): Dramatic and Divergent Sensitivity Modifications via Cocrystallization
inferredcites →https://doi.org/10.1021/jacs.5b07852openalex-snapshot
Enforced Layer-by-Layer Stacking of Energetic Salts towards High-Performance Insensitive Energetic Materials
inferredcites →https://doi.org/10.1021/jp0536192openalex-snapshot
Improved Prediction of Heats of Formation of Energetic Materials Using Quantum Mechanical Calculations
inferredcites →https://doi.org/10.1039/b508541aopenalex-snapshot
Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy
inferredcites →https://doi.org/10.1039/c2jm33646dopenalex-snapshot
Pushing the limits of energetic materials – the synthesis and characterization of dihydroxylammonium 5,5′-bistetrazole-1,1′-diolate
inferredcites →https://doi.org/10.1039/c6ce01239fopenalex-snapshot
Time for pairing: cocrystals as advanced energetic materials
inferredcites →https://doi.org/10.1039/c7ce00529fopenalex-snapshot
Enhancing intermolecular interactions and their anisotropy to build low-impact-sensitivity energetic crystals
inferredcites →https://doi.org/10.1039/c7ce01993aopenalex-snapshot
Alleviating the energy & safety contradiction to construct new low sensitivity and highly energetic materials through crystal engineering
inferredcites →https://doi.org/10.1039/c8fd90033gopenalex-snapshot
Crystal structure prediction: reflections on present status and challenges
inferredcites →https://doi.org/10.1098/rspa.2018.0351openalex-snapshot
Control and prediction of the organic solid state: a challenge to theory and experiment
inferredcites →https://doi.org/10.1103/physrevlett.77.3865openalex-snapshot
Generalized Gradient Approximation Made Simple
inferredcites →https://doi.org/10.1107/s0021889804027074openalex-snapshot
COMPACK : a program for identifying crystal structure similarity using distances
inferredcites →https://doi.org/10.1107/s2052520616006533openalex-snapshot
Generation of crystal structures using known crystal structures as analogues
inferredcites →https://doi.org/10.1107/s2052520616007447openalex-snapshot
Report on the sixth blind test of organic crystal structure prediction methods
inferredcites →https://doi.org/10.2174/1385272819666150622174626openalex-snapshot
Cyclization: A Useful Approach for the Synthesis of Nitrogen Heterocyclic N-Oxides
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.2139/ssrn.4600221openalex-extracted
Theoretical Simulation Research on the Hygroscopicity, Stability, Sensitivity, and Mechanical Properties of the Cocrystals of Ammonium Nitrate with Typical High Energetic Molecules
inferred← citeshttps://doi.org/10.2139/ssrn.4608388openalex-extracted
Theoretical Simulation Research on the Hygroscopicity, Stability, Sensitivity, and Mechanical Properties of the Cocrystals of Ammonium Nitrate with Typical High Energetic Molecules
inferred← citeshttps://doi.org/10.1002/advs.202523693openalex-snapshot
Isosteric Substitution Enables Rational Design of Two‐Dimensional Energetic Crystals
inferred← citeshttps://doi.org/10.1007/s11030-022-10514-5openalex-snapshot
Chemical similarity of molecules with physiological response
inferred← citeshttps://doi.org/10.1016/j.fpc.2023.06.002openalex-snapshot
New potential HEDMs with a pyridazine core: Structural modeling and assessment of thermochemical properties
inferred← citeshttps://doi.org/10.1016/j.mtcomm.2023.107688openalex-snapshot
Theoretical simulation research on the hygroscopicity, stability, sensitivity, and mechanical properties of the cocrystals of ammonium nitrate with typical high energetic molecules
inferred← citeshttps://doi.org/10.1021/acs.cgd.2c00469openalex-snapshot
Distinguishing the Packing Modes of Planar Energetic Molecules with Two “H2N–C–C–NO2” Groups Based on π-Holes
inferred← citeshttps://doi.org/10.3390/cryst12101455openalex-snapshot
How Do Small Differences in Geometries Affect Electrostatic Potentials of High-Energy Molecules? Critical News from Critical Points
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