Ground states of molecules. 41. MNDO results for molecules containing boron

阅读量:

91

作者:

MJS DewarML Mckee

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摘要:

Heats of formation, molecular geometries, ionization potentials, and dipole moments, calculated by the MNDO method, are reported for a wide variety of boron compounds. The results are much better than those from MINDO/3, especially for the boron hydrides. Calculated proton affinities also agree well with experiment.

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DOI:

10.1021/ja00458a001

被引量:

8009

年份:

1977

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2010
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