Nuclear spin selection rules in chemical reactions by angular momentum algebra
Nuclear spin selection rules in chemical reactions by angular momentum algebra
复制标题
用角动量代数研究化学反应中的核自旋选择规则
DOI：
10.1016/j.jms.2004.08.015
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发表时间：
2004
影响因子：
1.4
通讯作者：
T. Oka
中科院分区：
文献类型：
--
作者：
T. Oka
利用角动量代数推导了Quack利用分子对称群的反应性碰撞的详细选择规则。取代了核自旋和振动坐标波函数的置换-反转群的表示，只使用了核自旋波函数的旋转群的表示。该方法可以更直接地推导出Quack的结果，并进一步扩展了分离基本反应和应用于更高质子体系的计算。
The detailed selection rules for reactive collisions reported by Quack using molecular symmetry group are derived by using angular momentum algebra. Instead of the representations of the permutation–inversion group for both nuclear spin and rovibronic coordinate wavefunctions, those of the rotation group for nuclear spin wavefunction only are used. The method allows more straightforward derivation of Quack’s results and further extension of the calculation for separating elementary reactions and application to higher proton systems.