1-乙基-3-甲基咪唑四氟硼酸盐光谱分析与计算

室温离子液体因其独特优良的理化性质备受关注,通过谱学和分子模拟、量化计算等方法相结合来研究离子液体的微观结构具有重要的意义.本文选取1-乙基-3-甲基咪唑四氟硼酸盐([EMIM][ BF4])作为研究对象,利用U4100分光光度计测量了[EMIM][ BF4]在180 ～2 400 nm范围的光谱,对其在近紫外和近红外...     

Application of Qutanmme Chemistry Calculation Methods in Structural Chemistry

The paper introduces ab inito calculations, Seim-Empirical and DFT theory and molecular method, Its steady growth,application and influence are evedently by mordern chemical attitudes and approches as well as the continous increase in the sophistication of computional techniques.     

Can We Explain Thermodynamics By Quantum Decoherence?

Can we explain the laws of thermodynamics, in particular the irreversible increase of entropy, from the underlying quantum mechanical dynamics? Attempts based on classical dynamics have all failed. Albert (1994a,b; 2000) proposed a way to recover thermodynamics on a purely dynamical basis, using the quantum theory of the collapse of the wavefunction of Ghirardi, Rimini and Weber (1986). In this paper we propose an alternative way to explain thermodynamics within no-collapse interpretations of quantum mechanics. Our approach relies on the standard quantum mechanical models of environmental decoherence of open systems, e.g. Joos and Zeh (1985) and Zurek and Paz (1994).     

电容和电感随时间变化的介观电路中压缩态的产生

在电容和电感随时间变化的介观电感耦合电路中可以产生压缩态,并将压缩参数与电路中的物理量联系起来。     

REPRESENTATIONS OF A CLASS OF ASSOCIATIVE ALGEBRAS ON THE QUANTUM TORUS OF RANK n

In this paper,we present three types of representations over Anq defined based on the quantum torus of rank n,which are closely related to modules over some vertex algebras. The isomorphism classes among these modules are also determined.     

关于[[n,k,d]]量子码存在性的若干结论

本文给出了纯稳定量子码存在性的一个条件,而且证明了当n=k 2(d-1),d≥2,p是奇素数时,图量子码[[n,1,d]],与[[n 1,0,d 1]],的存在性等价．     

双轴亚铁磁粒子中的量子位相干涉

本文研究了外磁场沿难磁化轴和中间磁化轴所在平面上任意方向时,亚铁磁颗粒中的量子位相干涉。     

无机苯芳香性的理论研究

采用最子化学从头算方法,在HF/6-311G^*和B3LYP/6-311G^*基组水平上,对苯和无机苯（B3N3H6）进行了计算,从结构判据,能量判据,磁性判据和键级判据四方面系统地讨论了无机苯的芳香性问题,并与苯的芳香性进行了比较。结果表明,无机苯具有芳香性,但较有机苯为弱。     

Existence of macroscopic spatial superpositions in collapse theories

It is shown that the collapse dynamics in the CSL model will entangle two independent systems under certain conditions, and their state after collapse may be an entangled superposition of spatially separated states. However, since the conditions can hardly be satisfied in reality, the occurrence of such superpositions is very improbable, and thus collapse theories still provide a promising solution to the measurement problem.     

Is there a stability problem for Bayesian noncommutative probabilities?

A stability condition for Bayesian statistical inference, which Redei [(1992). When can non-commutative statistical inference be Bayesian? International Studies in the Philosophy of Science, 6, 129–132; (1998). Quantum logic in algebraic approach. Dordrecht: Kluwer Academic Publishers] formulated as a rationality constraint holding in classical probability theory, is shown to fail in quantum mechanics. That allegedly challenges a Bayesian interpretation of quantum probabilities. In this paper we demonstrate that Redei's argument does not apply to quantum mechanics. Moreover, we provide a solution to the problem of Bayesian noncommutative statistical inference arising from the violation of stability condition in general probability spaces.