Coupled-cluster studies of HOONO+: Additional conformers of the 2A"ON+ - OOH complex and a comparison of restricted and unrestricted open-shell hartree-fock coupled-cluster results

International Journal of Quantum Chemistry

Volumn 100, Issue 5, 2004, Pages 764-770

  Watts, John D ^a   Francisco, Joseph S ^b  

^a JACKSON STATE UNIVERSITY   (United States)

^b PURDUE UNIVERSITY   (United States)

Author keywords

Cation (HOONO +); CCSD(T); Ion molecule complexes; Open shell coupled cluster methods; Peroxynitrous acid; Radical cations

Indexed keywords

CCSD(T); ION-MOLECULE COMPLEXES; OPEN SHELL COUPLED CLUSTER METHODS; PEROXYNITROUS ACID ACTION(HOONO+); RADICAL CATIONS;

COMPLEXATION; CONFORMATIONS; CORRELATION METHODS; ORGANIC ACIDS; PERTURBATION TECHNIQUES; POTENTIAL ENERGY;

POSITIVE IONS;

EID: 8344258320     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.20242     Document Type: Conference Paper

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