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The multi-centre integrals of derivative, spherical GTOs

โœ Scribed by Gerhard Fieck

Publisher
Springer
Year
1980
Tongue
English
Weight
422 KB
Volume
54
Category
Article
ISSN
1432-2234

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The contribution of three-and four-centre integrals to tf.o neutral triplet exchange integral between molecules has been calculated for nnphthalene. enthrncene uzd tetracene crystals. in different npproximntions. It is showrl to be compnrab!e in all cases to the contribution of the two-centre integ