1、

Pressure is an ideal parameter suited to the study of organic molecular crystals, as small variation of applied forces typically results in large changes in intermolecular separations, which often trigger dramatic reorganizations of crystal packing.

压强是非常适合研究有机分子晶体的参量,这是因为,施加微小的力就可以造成分子间距较大的变化,引发晶体结构的重构。

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2、

The properties of the molecular and supramolecular crystals are determined, on the one hand, by the chemical structure of the molecules and, on the other, by the three-dimensional arrangement in the crystal lattice.

分子晶体及超分子晶体的宏观性质一方面由分子的结构决定,另一方面也和分子的排列方式有关。

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3、

High Pressure Study of Organic Molecular Crystals and Nd: YVO_4 Crystal

有机分子晶体及钕掺杂的钒酸钇晶体的高压研究

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4、

Calculations of the electronic density of States and its applications for molecular crystals

分子晶体的电子态密度计算与应用

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5、

The results are helpful to the study of transparency window of molecular crystals.

对光学晶体红外透过窗口的研究具有重要意义。

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6、

Ab Initio Studies of Organic Molecular Crystals: a Literature Review

有机分子晶体的从头算研究

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7、

The Raman intensity as the order parameter of the phase transition for molecular crystals

拉曼峰强作为分子晶体相变的有序度

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8、

Investigation of regularity of frequency doubling effect in benzene derivative molecular crystals

苯衍生物分子晶体的倍频效应规律的探讨

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9、

Thermal analysis and structure transformation of Mn_ ( 12)-Ac magnetic molecular crystals

Mn(12)-Ac磁性分子团簇单晶的热重-差热分析与结构转变

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10、

structural disorder and conformation difference in the organic molecular crystals

有机分子晶体中的结构无序与构象差异

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11、

The solid state phase transition in some molecular crystals reversibly absorb large amount of heat.

硫氰化铵分子晶体在固固转变时,能可逆地吸收大量的热.

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12、

Properties of Localized Excitation in Linear Molecular Crystals

在线性型分子晶体中的局域性集体激发特性

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13、

Symmetry Properties of the Lattice Dynamics of Nonrigid Molecular Crystals

非刚性分子晶格动力学的对称性质

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14、

Mossbauer effect resulting from supersonic solitons in quasi-one-dimensional organic molecular crystals

在准一维有机分子晶体中由超声孤子引起的Mossbauer效应

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15、

The present work provides a useful way to deal with quantum chemistry calculations of the kind of molecular crystals like urea.

提供了一种解决分子晶体量子化学理论计算的新思路。

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16、

Polaron Solitons Motion in One-dimensional Molecular Crystals

一维分子晶体的极化子-孤立子运动

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17、

Some Intermolecular Interactions of Molecular Crystals

分子晶体中的几种分子间相互作用

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18、

The high-pressure behaviors of the molecular crystals under hydrostatic and uniaxial compressions from previous works are also discussed.

也讨论了流体静压力和单轴压力下分子晶体高压行为的研究结果。

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19、

We further propose a shell-structure model to improve the oriented-gas model for reliably calculating nonlinear optical susceptibility molecular crystals.

研究结果有效地确认了有向气体模型。同时,我们还提出了壳层结构模型(Shell-Structure Model),用以解决有向气体模型中的缺陷,可实现更为有效可靠地计算晶体宏观非线性光学系数。

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20、

The previous theoretical works on molecular crystals using ab initio methods ( density functional theory, Hartree-Fock methods) and related semi-empirical methods have been reviewed.

综述了分子晶体从头算(密度范函和Hartree-Fock方法)和相关半经验方法的理论研究工作。

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