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The effect of inner-shell polarization on diagonal stretching force constants. Some large-basis SCF and CI results

โœ Scribed by Harrell Sellers

Publisher
Elsevier Science
Year
1985
Tongue
English
Weight
295 KB
Volume
119
Category
Article
ISSN
0009-2614

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The effect of inner-shell polarization o
The effect of inner-shell polarization on diagonal stretching force constants
โœ Harrell Sellers ๐Ÿ“‚ Article ๐Ÿ“… 1985 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 393 KB

The effect of inner-shell polarization on diagonal stretching force constants of OH-, HF, Lii, HCN, C,H,. and C,H, were determined at the 4-21G IeveI via floating-orbital calculations. Inner-shell polarization effects in HF were also determined at the 6-311G.r level. We found that account of inner-s