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Note on the calculation of electrostatic lattice potentials

✍ Scribed by C.M. Fortuin


Publisher
Elsevier Science
Year
1977
Tongue
English
Weight
462 KB
Volume
86
Category
Article
ISSN
0378-4371

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Calculation of molecular electrostatic p
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Original auempls 10 calculate elecrrosIatic pmenlials (EPs) from semi-empirical wavcfumxions okn railed IO march either ;:b initio calculations or rcsulrs inferred from experiment. We rs-cxnmine this problem for benzene and cylosine. LWO or rhe molecules which led 10 the demise or EP studies using w