Computer‐Assisted Prediction of Novel Target High‐Energy Compounds

Propellants, Explosives, Pyrotechnics

Volumn 20, Issue 3, 1995, Pages 144-146

  Pivina, Tatyana S ^a   Shcherbukhin, Vladimir V ^a   Molchanova, Marina S ^a   Zefirov, Nikolai S ^a  

^a N D ZELINSKY INSTITUTE OF ORGANIC CHEMISTRY   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 85013469932     PISSN: 07213115     EISSN: 15214087     Source Type: Journal    
DOI: 10.1002/prep.19950200309     Document Type: Article

References (12)

1. A Heuristic Model for Computer Prediction of Molecular Crystals with High Density
2. Rapid Conversion of Molecular Graphs to 3D Representation using the MOLGEO Program
3. Optimization of Parameters for Semi‐Empirical Methods
4. Analysis of Potential Energy Surfaces for Crystals of Poly‐Nitro Compounds
5. Intermolecular potentials from crystal data. III. Determination of empirical potentials and application to the packing configurations and lattice energies in crystals of hydrocarbons, carboxylic acids, amines, and amides
6. Intermolecular potentials from crystal data. IV. Application of empirical potentials to the packing configurations and lattice energies in crystals of amino acids