1) CASSCF/CI
CASSCF/CI
1.
The relativistic pseudopotential CASSCF/CI calculation has been performed for the ground state (X1Σ+) and a few low-lying excited states (A3Π,B3Σ+,C1Π and D1Σ+) of van der Waals molecule ZnNe.
用相对论赝势CASSCF/CI方法,对ZnNe的基态 (X1∑ + )和低激发态 (A3∏、B3∑ +、C1∏和D1∑+ )进行了计算,得出了它们的电子结构,势能曲线及光谱常数。
补充资料：(6CI,7CI,8CI,9CI)-甲基三苯氧基硅烷
CAS：3439-97-2
分子式：C19H18O3Si
分子质量：322.43
中文名称：(6CI,7CI,8CI,9CI)-甲基三苯氧基硅烷
英文名称：Silane, methyltriphenoxy(6CI,7CI,8CI,9CI)；methyltriphenoxysilane；methyl-triphenoxy-silane；Silane,methyltriphenoxy-；Silane,methyltriphenoxy(6CI,7CI,8CI,9CI)
分子式：C19H18O3Si
分子质量：322.43
中文名称：(6CI,7CI,8CI,9CI)-甲基三苯氧基硅烷
英文名称：Silane, methyltriphenoxy(6CI,7CI,8CI,9CI)；methyltriphenoxysilane；methyl-triphenoxy-silane；Silane,methyltriphenoxy-；Silane,methyltriphenoxy(6CI,7CI,8CI,9CI)
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