Concepedia

Theoretical insight into the binding energy and detonation performance of ε-, γ-, β-CL-20 cocrystals with β-HMX, FOX-7, and DMF in different molar ratios, as well as electrostatic potential

Rui-zhi Feng, Shuhai Zhang, Fu‐de Ren, Ruijun Gou, Li Gao

Journal of Molecular Modeling · 2016 · 45 citations · 63 references

DOI

Concepts

References

63

Multiwfn: A multifunctional wavefunction analyzer

Tian Lu, Feiwu Chen · Journal of Computational Chemistry · 2011 · 43K citations

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Supramolecular Chemistry—Scope and Perspectives Molecules, Supermolecules, and Molecular Devices (Nobel Lecture)

Jean‐Marie Lehn · Angewandte Chemie International Edition in English · 1988 · 3.8K citations

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Optimization of parameters for semiempirical methods V: Modification of NDDO approximations and application to 70 elements

James J. P. Stewart · Journal of Molecular Modeling · 2007 · 3.7K citations · Full text

, , +9

The electrostatic potential: an overview

Jane S. Murray, Peter Politzer · Wiley Interdisciplinary Reviews Computational Molecular Science · 2011 · 1.8K citations

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Chemistry of Detonations. I. A Simple Method for Calculating Detonation Properties of C–H–N–O Explosives

Mortimer J. Kamlet, Sigmund J. Jacobs · The Journal of Chemical Physics · 1968 · 1.5K citations

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