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NDDO MO calculations: isotropic hyperfine coupling constants and nuclear spin-spin coupling constants

✍ Scribed by Prem K. Mehrotra; Jayaraman Chandrasekhar; Periakaruppan T. Manoharan; Sankaran Subramanian

Publisher: Elsevier Science
Year: 1979
Tongue: English
Weight: 244 KB
Volume: 68
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(79)80105-0

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✦ Synopsis

The nonempirical NDDO MO method in its unrestricted form has been used to evaluate isotropic hyperfme coupling constants and nuclear spin-spin coupling constants_ Satlskctory agreement \ith INDO and experimental results is ob-

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