By calculating indirect nuclear spin-spin coupling constants(SSCCs) with coupled perturbed density functional theory(CPDFT) using 6-311+G(3df) basis set.
利用传统的密度泛函理论在B3LYP/6-31+G(d)水平上优化了铝簇(Aln+,Aln与Aln-,n=2~9)的几何结构,并利用偶合的微扰的密度泛函理论在B3LYP/6-311+G(3df)水平上计算了核自旋-自旋偶合常数。
A theroretical calculation on C-H nuclear spin-spin coupling constants;
直接键链~1JC-H的核自旋偶合常数的理论计算
Their nuclear spin-spin coupling constants of C-C-F bonds were also calculated by the same method,which can be used to set up a general equation for the calculation of spin-spin coupling constants.
用密度泛函B3LYP方法,在6311G基组上对36个化合物进行构型优化、频率分析,计算了C C F的核自旋偶合常数2JC C F。
Theoretical Study on the Spin-spin Coupling Constant of Indirectly Bonded Atoms;
二键连原子间核自旋偶合常数的理论研究
Theoretical Study on Spin-spin Coupling Constants of Directly Bonded Atoms;
直接键连原子间核自旋偶合常数的理论研究
A Theoretical Study on Nuclear Spin-Spin Coupling Constants of C-X (X=H,C) Bonds
C-H键和C-C键核自旋偶合常数的理论研究
SPIN CURRENT AND SPIN HALL EFFECT IN SYSTEMS WITH SPIN-ORBIT COUPLING
自旋轨道耦合系统中的自旋流与自旋霍尔效应
As the DNA made copies of itself there would have been occasional errors in the order of the nucleic acids along the spiral.
DNA自我复制时，偶尔会在核酸的螺旋序列上出错。
spin-sin coupling constant
（核磁共振）自旋—自旋耦合常数
If the spins are in the same direction, the state is called orthopositronium; if they are opposite, we speak of parapositronium.
若方向相同，则称该自旋态的电子偶素为正电子偶素；若方向相反，则称为仲电子偶素。
Spin Hall Effect and Spin Current in a Mesoscopic System with Spin-Orbit Coupling;
自旋轨道耦合介观体系中的自旋Hall效应及自旋流
Effects Induced by Different Spin-Orbit Couplings in Spin Transistor and Spin Injection
自旋晶体管和自旋注入中不同自旋轨道耦合引起的效应
Persistent Spin Current for a Rashba Spin-Orbit Coupling Quantum Wire;
Rashba自旋轨道耦合量子线中的持续自旋流
Spin Transport of the 2DEG Through a Magnetic Barrier with Spin-orbit Interactions
自旋轨道耦合作用下磁调制2DEG的自旋输运
Spin-filtering Effect Based on the Spin-orbit Interaction in a Nano-ring Device
纳米环中基于自旋轨道耦合的自旋过滤效应
Current-induced spin polarization in spin-orbit coupling systems
自旋轨道耦合系统中的电流导致的自旋极化
Spin current in a wide quantum wire with Rashba spin-orbit coupling
Rashba自旋轨道耦合下宽量子线中的自旋流
The Existence of Self-Dual Non-Abelian Vortices in a Ф~2 Chern-Simons Gauge Theory
自对偶非阿贝尔涡旋在Ф~2Chern-Simons规范定理中的存在性
Optimization Design of Variable Speed Fluid Couplings Transmit Pipe No-Meddle with Turning Outside-Shell
调速型液力偶合器勺管与旋转外壳不干涉优化设计
double coupling method
双偶联法，双偶合法
coupled reaction
偶联反应，偶合反应