Concepedia

Insight into electrostatic initiation of nitramine explosives

Bisheng Tan, Zhipeng Li, Xudong Guo, Jingming Li, Yong Han, Xinping Long

Journal of Molecular Modeling · 2016 · 19 citations · 17 references

DOI

Concepts

References

17

Density-functional thermochemistry. III. The role of exact exchange

Axel D. Becke · The Journal of Chemical Physics · 1993 · 102.8K citations

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Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

Chengteh Lee, Weitao Yang, Robert G. Parr · Physical review. B, Condensed matter · 1988 · 100.1K citations

, , +17

Multiwfn: A multifunctional wavefunction analyzer

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

, , +15

A Hierarchy of Homodesmotic Reactions for Thermochemistry

Steven E. Wheeler, K. N. Houk, Paul von Ragué Schleyer et al. · Journal of the American Chemical Society · 2009 · 608 citations · Full text

, , +14

Improved Prediction of Heats of Formation of Energetic Materials Using Quantum Mechanical Calculations

Edward F. C. Byrd, Betsy M. Rice · The Journal of Physical Chemistry A · 2005 · 600 citations

, , +17