三重态

正常金属/自旋三重态p波超导体结隧道谱的奇异性

Tunneling conductance anomalies in normal metal / triplet superconductor junction

非线形CS2分子单重态和三重态的密度泛函理论

DFT Study of Nonlinear CS_2 Isomers in Singlet and Triplet States

三重态双极化子的超导A相与B相

Superconducting A and B phases in triplet bipolaron systems

由光开关时间推断出C（60）分子三重态的寿命。

The lifetime of C60 ( 3T1 ) can be deduced from the switching time .

计算是在（n，π＊）激发三重态势能面上。

The calculations are based on ( n ,π) excited triplet energy surface .

用ESR谱仪测量激光染料三重态的寿命

Measurement of triplet lifetime of laser dyes by ESR

Na2第一三重态吸收系数及小信号增益系数测量

The measurement of absorption and small signal gain coefficient of the first triplet transition of the sodium dimer

三重态发光材料Cu4掺杂的PVK发光器件及特殊的发光增强机理研究

Electroluminescent Devices Based on Triplet Materials Cu_4 Doped PVK and Special Increasing Emitting Mechanism

从Paris势和电磁相互作用出发，应用格林函数方法推导了同位旋三重态sd壳等效粒子粒子相互作用。

The sd-shell effective particle interactions are derived from the Paris potential and electric magnetic interactions using Green 's function method .

自旋三重态超导体结的直流Josephson电流

The DC Josephson current in spin - triplet Superconductor Junctions

用此腔片1988年于国际上首次实现了Na2第一三重态激光振荡。

In 1988 , with this film , laser oscillation of the lowest triplet transition of Na_2 was obtained for the first time .

考虑零场分裂参数E，从理论上全面计算了自由基-三重态对极化机理的电子自旋极化强度。

At the same time , considering the zero-field-splitting constant E , the electron spin polarization due to radical-triplet pair mechanism ( RTPM ) is theoretically calculated in detail .

双电子机理中，单重态势能面和三重态势能面的交叉导致稳定产物为三重态V（OH）2+。

The crossing point between singlet and triplet potential energy surfaces ( PESs ) results in the stable product triplet V ( OH ) 2 + in the two-electron mechanism .

获得了单重态和三重态的S，P，D分波的高精度位相移动，与现有理论计算结果相比，符合得很好。

The S , P and D partial wave phase shifts of night accuracy are obtained for both the singlet and the triplet spin states . The excellent agreement between the present calculation and existing theoretical results .

并研究了自旋三重态对电子顺磁共振（EPR）零场分裂的贡献。

At the same time , the contributions to zero field splitting from spin triplet state have been studied .

对于由同科电子构成的组态，由于没有相应的3D谱项，所以由此计算得到的二级以上单态、三重态的能级修正值是不对称的。

Due to the lack of ~ 3D terms in some configurations composed of equivalent electrons , the second - and higher-order corrections for ~ 1D are asymmetric to those for ~ 3D .

醌分子激发三重态对细胞、蛋白质等生物体组织具有损伤作用，维生素C（VC）是一种有效的生物抗氧化剂。

The excited triplet state of quinone molecules is harmful for biological tissues such as cells , proteins and so on . Vitamin C ( VC ) is an effective biological antioxidant .

利用DFT方法在B3LYP/Lan12dz水平下对原子簇NiFeB2的单、三重态的各种可能构型进行全参数优化。

Different configurations of cluster NiFeB_2 with single state and triple state have been calculated at B3LYP / Lan12dz level by DFT method .

本文报道了一种在ESR谱仪上测量激光染料三重态寿命的方法。测量结果表明误差在±15%以内。

The paper proposes a method for measuring the triplet lifetime of laser dyes by ESR technique with an error of about 15 % .

探讨了影响三重态正子素（OPs）在有机液体中的湮灭速率的若干因素，导出了有关OPs寿命的简单经验公式。

Several factors which affect O Ps annihilation rate in Organic liquids have been discussed . A simple empirical formula about O Ps lifetime has been derived .

热动力学计算的结果排除了H＋NF2反应在三重态势能面直接产生NF（X）的可能。

The calculated thermodynamic and kinetic results preclude formation of NF ( X 3 Σ) by the direct reaction of H + NF 2 on the triplet potential surface .

它们分别是由BP的激发三重态从LDPE链的支化点和亚甲基团上夺氢所形成的自由基中间体同自旋捕捉剂BNB反应生成的。

These intermediates are produced by hydrogen abstraction of the BP excited triplet state from branch points and methylene groups of the LDPE chain , respectively .

三重态分子/稳定自由基体系超精细相关CIDEP的理论计算

Theoretical calculation of hyperfine dependent CIDEP in triplet molecule / free radical

应用量子化学从头算和密度泛函理论（DFT），对CS自由基与O2分子反应的单、三重态势能面进行了研究。

Using the ab initio calculation and density function theory ( DFT ), the singlet and triplet potential energy surface ( PES ) of the CS + O2 reaction were studied .

由于C60分子单重态及三重态单光子吸收截面的相对大小依赖于所用的激发波长，因此可以通过改变激发脉冲的波长来获得不同的光限幅效应。

Different optical limiting behavior can be obtained by tuning the excitation wavelength because of the wavelength sensitivity of the singlet-singlet and triplet-triplet photoabsorption cross sections .

原子簇三重态的稳定性强于单重态，其中Cs对称性的Ni2BP[3]（A）是所有单、三重态中热力学最稳定的构型；

The cluster with triple state is more stable than that of single state , In addition , Ni_2BP ~ (( 3 ))( A ) with Cs symmetry is the most stable one in cluster Ni_2BP ;

测定了新合成的α位取代和β位取代的四-（4-吡啶氧基）酞菁锌配合物的UV-Vis吸收光谱、荧光光谱及激发单重态寿命、纳秒瞬态吸收光谱与激发三重态寿命。

The UV-Vis absorption spectra , fluorescence spectra and excited singlet lifetimes , transient absorption spectra and excited triplet lifetimes of novel tetra - α(β) - ( 4-pyridyloxy ) zinc phthalocyanines were measured in this paper .

在s波超导体/绝缘层/自旋三重态超导体结中，计算了直流Josephson电流随结的温度、相位差以及绝缘层势垒强度的变化关系。

The Josephson currents in s-wave superconductor / insulator / triplet superconductor ( s / I / T_s ) junctions are calculated as a function of temperature , the phase and insulating barrier strength .

三重态/氢给体分子/TEMPO体系CIDEP超精细相关性的研究

The investigation of hyperfine-dependent chemically induced dynamic electron polarization ( CIDEP ) in triplet state / hydrogen donor / TEMPO system

应用CNDO/2方法和PPP方法计算了有机共轭分子的电子能级、最低三重态激发能及增感染料分子的半波电位。

The electronic levels and the lowest excitation energy of triplet state of the organic conjugated molecules , as well as the half-wave potential of some sensitizing dye molecules were evaluated using PPP and CNDO / 2 methods .