diradical

英

美

n. 双（自由）基；双游离基

Theoretical Study of Charge-induced High Spin State in Diradical Organic Molecules
电荷诱导双侧基有机分子高自旋态的理论研究
DFT study on nonlinear optical properties of nitroxide diradical with different conjugated bridge
不同共轭桥的氮氧双自由基分子NLO性质的DFT研究
With these new developments, the hybrid CC methods are expected to become promising tools for studying potential energy surfaces and molecules with diradical characters.
这些新的发展，使杂化CC方法有望成为研究势能面和双自由基性质分子的有效手段。
The magnetic characters of these diradical structures are represented with the magnetic exchange coupling constant ( J).
双自由基体系的磁性特征可采用磁交换耦合常数（J）来表征。
The magnetic coupling interactions of the diradical systems are controlled by intermolecular interactions ( H-bond, electrostatic repulsion, and radical coupling).
双自由基体系的磁耦合相互作用由分子间相互作用控制（氢键、静电相互作用和自由基耦合）。
The broken symmetry unrestricted formalism has been employed to reveal the magnetic interactions of diradical molecules.
采用对称性破缺（BS）的非限制性方法揭示了双自由基分子的磁相互作用。