Some aspects of modem quantum chemistry

Poleshchuk Oleg Khemovich

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Some problems of a modern state of the theory of the molecule structures surveyed. The concepts about a method of molecular orbitals and most important parameters are given: electronic density, order of bonds, index of free valence. The possibilities of modern quantum-chemical calculations are shown.

( 2.34 MB ) ( 2.35 MB )

Issue: 2, 2000

Series of issue: Science (Special Issue)

Rubric: Academic Papers

Pages: 6 — 15

Downloads: 915