A comparative three-dimensional Hartree–
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E. B. Starikov
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Article
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1998
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John Wiley and Sons
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English
⚖ 397 KB
## X dicyanbenzoquinondiimine DCNQI , and N, N -dicyan-2,5-dimethyl-1,4-Ž . benzoquinondiimine 2,5-Me -DCNQI were studied within the ab initio Hartree᎐Fock 2 crystal orbital approximation using the CRYSTAL92 routine package. A qualitative agreement with the experimental data was achieved, and a de