Electronic structure and bonding of the pentasulfur hexanitride (S 5 N 6 ) molecule | Zendy

Trsic Milan | Zendy; Wagstaff Kim | Zendy; Laidlaw William G. | Zendy

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Electronic structure and bonding of the pentasulfur hexanitride (S 5 N 6 ) molecule

Author(s) -

Trsic Milan,

Wagstaff Kim,

Laidlaw William G.

Publication year - 1982

Publication title -

international journal of quantum chemistry

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.484

H-Index - 105

eISSN - 1097-461X

pISSN - 0020-7608

DOI - 10.1002/qua.560220505

Subject(s) - electronic structure , ab initio , atomic orbital , eigenvalues and eigenvectors , molecule , computational chemistry , hartree–fock method , molecular physics , atomic physics , ab initio quantum chemistry methods , molecular orbital , chemistry , stability (learning theory) , materials science , physics , quantum mechanics , electron , computer science , machine learning

An ab initio version of the Hartree–Fock–Slater method is applied to obtain molecular orbitals and eigenvalues for S 5 N 6 . The electronic structure, bonding, stability, and electronic spectrum are discussed.

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