Unrestricted prescriptions for open-shell singlet diradicals: using economical ab initio and density functional theory to calculate singlet-triplet gaps and bond dissociation curves期刊界 All Journals 搜尽天下杂志传播学术成果专业期刊搜索期刊信息化学术搜索

Unrestricted prescriptions for open-shell singlet diradicals: using economical ab initio and density functional theory to calculate singlet-triplet gaps and bond dissociation curves

Authors:	Ess Daniel H Cook Thomas C

Affiliation:	Department of Chemistry and Biochemistry, Brigham Young University, Provo, Utah 84602, USA. dhe@chem.byu.edu

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