화학공학소재연구정보센터
검색결과 : 3건
No. Article
1 Singlet-Triplet Energy Gaps in Binuclear Copper Complexes and Organic Diradicals by Approximate Spin Projected Spin-unrestricted Coupled Cluster Method
Saito T, Takano Y
Chemistry Letters, 48(12), 1441, 2019
2 Binding energy of d(10) transition metals to alkenes by wave function theory and density functional theory
Averkiev BB, Zhao Y, Truhlar DG
Journal of Molecular Catalysis A-Chemical, 324(1-2), 80, 2010
3 Gaussian-2 Theory - Use of Higher-Level Correlation Methods, Quadratic Configuration-Interaction Geometries, and 2nd-Order Moller-Plesset Zero-Point Energies
Curtiss LA, Raghavachari K, Pople JA
Journal of Chemical Physics, 103(10), 4192, 1995