The structure shows a distorted trigonal bipyramidal configuration with five-coordinations to a central tin atom.

结果表明,化合物中锡原子呈五配位畸变三角双锥构型。

Like light meromyosin, tropomyosin contains two peptide chains in a coiled coil conformation.

象轻酶解肌球蛋白一样，原肌球蛋白含有两个肽链，其构型为盘旋螺旋。

I like the general style of the building, but the chimneys are out of proportion—they're too big.

我喜欢这栋房子的总构型, 可是烟囱太大, 不成比例。

MNDO calculations and group theory were carried out on tetraphenyl porphyrine(TPP) to obtain its optimum molecular geometry.

运用MNDO计算和，化得到了较满意的中位取代四苯基卟啉(H2TPP)的分子构型。

Two different symmetric configurations in the electronic structure of propadiene molecule are calculated by adopting PSHONDO SCF full electronic ab initio calculation.

采用PSHONDO-SCF全电子从头计算程序,丙二烯分子的两种不同称构型的电子结构进行计算。

The second-order NLO properties of a series of tri-nuclear transition metal clusters with incomplete cubane-like structures were studied by using the first-principle quantum chemical method.

研究了具有欠完整立方烷构型的过渡金属原子簇分子的二阶非线光学。

Abstract A method is suggested to determine the absolute configuration of ent kaurene diterpenoids by analysing the circular dichroism spectral data of 13 hydroxy ent kaurenoids.

要通过系列13羟基映贝壳杉烯二萜的园二色散光谱的数据分析，提出一种确定映贝壳杉烯二萜绝构型的方法。

In this paper,according to ground state energy,microcosmic spin configuration of ground state of three sublittice is discussed,saturated magnetic moment of each sublattice in ground state is given.

根据基态能量，讨基态的自旋微观构型，给出基态子晶格的饱和磁矩.

The quantum chemical theoretic and experimental studies on the configuration,state of aggregation and carbocyanine molecular structure domino effect of its properties are introduced in this paper.

本文介绍了碳菁分子构型、聚集态及碳菁分子的结构效应的量子化学理与实验研究情况,综述了国内外学者碳菁分子的量子化学计算方法的研究进展。

Typically landscapes or seascapes, with sky occupying nearly half of the composition, Luminist works are distinguished by cool, clear colors and meticulously detailed objects modeled by light.

光亮主义作品的特点是用清澈的冷色调，用光线构型的物体的细致入微的细节描写。

Then ultrasonic wave and solvent were exerted into the crystallizable solution to change its natures,adjust the formation of crystal water and affect the change of crystal configuration.

然后通过施加超声波、溶剂等来改变结晶溶液的特，以调节结晶水形成，干预晶体构型变化。

In this paper,the geometries of leucine,its thermolytic intermediate and final products are optimized by AM1 method,respectively.The parameters of the total energy and bond order etc are obtained.

用AM1方法全化计算了亮氨酸及其热分解中间产物、产物分子的几何构型，得到其总能量、键级等数据。

The structure shows a distorted trigonal bipyramidal configuration with five-coordinations to a central tin atom.

结果表明,化合物中锡原子呈五配位畸变三角双锥构型。

Like light meromyosin, tropomyosin contains two peptide chains in a coiled coil conformation.

象轻酶解肌一样，原肌含有两个肽链，其构型为盘旋螺旋。

I like the general style of the building, but the chimneys are out of proportion—they're too big.

我喜欢这栋房子的总构型, 可是烟囱太大, 不成比例。

MNDO calculations and group theory were carried out on tetraphenyl porphyrine(TPP) to obtain its optimum molecular geometry.

运用MNDO计算和群论，优化得到了较满意的中位取代四苯基卟啉(H2TPP)的分子构型。

Two different symmetric configurations in the electronic structure of propadiene molecule are calculated by adopting PSHONDO SCF full electronic ab initio calculation.

采用PSHONDO-SCF全电子从头计算程序,丙二烯分子的两种不同称性构型的电子结构进行计算。

The second-order NLO properties of a series of tri-nuclear transition metal clusters with incomplete cubane-like structures were studied by using the first-principle quantum chemical method.

研究了具有欠完整立方烷构型的过渡金属原子簇分子的二阶非线性光学性质。

Abstract A method is suggested to determine the absolute configuration of ent kaurene diterpenoids by analysing the circular dichroism spectral data of 13 hydroxy ent kaurenoids.

摘要通过系列13羟基映贝壳杉烯二萜的园二色散光谱的数分析，提出一种确定映贝壳杉烯二萜绝构型的方法。

In this paper,according to ground state energy,microcosmic spin configuration of ground state of three sublittice is discussed,saturated magnetic moment of each sublattice in ground state is given.

基态能量，讨论基态的自旋微观构型，给出基态子晶格的饱和磁矩.

The quantum chemical theoretic and experimental studies on the configuration,state of aggregation and carbocyanine molecular structure domino effect of its properties are introduced in this paper.

本文介绍了碳菁分子构型、聚集态及碳菁分子性质的结构效应的量子化学理论与实验研究情况,综述了国内外学者碳菁分子的量子化学计算方法的研究进展。

Typically landscapes or seascapes, with sky occupying nearly half of the composition, Luminist works are distinguished by cool, clear colors and meticulously detailed objects modeled by light.

光亮主义作品的特点是用清澈的冷色调，用光线构型的物体的细致入微的细节描写。

Then ultrasonic wave and solvent were exerted into the crystallizable solution to change its natures,adjust the formation of crystal water and affect the change of crystal configuration.

然后通过施加超声波、溶剂等来改变结晶溶液的特性，以调节结晶水形成，干预晶体构型变化。

In this paper,the geometries of leucine,its thermolytic intermediate and final products are optimized by AM1 method,respectively.The parameters of the total energy and bond order etc are obtained.

用AM1方法全优化计算了亮氨酸及其热分解中间产物、产物分子的几何构型，得到其总能量、键级等数。

The structure shows a distorted trigonal bipyramidal configuration with five-coordinations to a central tin atom.

果表明,化合物中锡原子呈五配位畸变三角双锥构型。

Like light meromyosin, tropomyosin contains two peptide chains in a coiled coil conformation.

象轻酶解肌球蛋白一样，原肌球蛋白含有两个肽链，其构型为盘旋螺旋。

I like the general style of the building, but the chimneys are out of proportion—they're too big.

我喜欢这栋房子的总构型, 可是烟囱太大, 不成比例。

MNDO calculations and group theory were carried out on tetraphenyl porphyrine(TPP) to obtain its optimum molecular geometry.

运用MNDO计算和群论，优化得到了较满意的中位取代四苯基卟啉(H2TPP)的分子构型。

Two different symmetric configurations in the electronic structure of propadiene molecule are calculated by adopting PSHONDO SCF full electronic ab initio calculation.

采用PSHONDO-SCF全电子从头计算程序,丙二烯分子的两种不同称性构型的电子构进行计算。

The second-order NLO properties of a series of tri-nuclear transition metal clusters with incomplete cubane-like structures were studied by using the first-principle quantum chemical method.

研究了具有欠完整立方烷构型的过渡金属原子簇分子的二阶非线性光学性质。

Abstract A method is suggested to determine the absolute configuration of ent kaurene diterpenoids by analysing the circular dichroism spectral data of 13 hydroxy ent kaurenoids.

摘要通过系列13羟基映贝壳杉烯二萜的园二色散光谱的数据分析，提出一种确定映贝壳杉烯二萜绝构型的方法。

In this paper,according to ground state energy,microcosmic spin configuration of ground state of three sublittice is discussed,saturated magnetic moment of each sublattice in ground state is given.

根据基态能量，讨论基态的自旋微观构型，给出基态子晶格的饱和磁矩.

The quantum chemical theoretic and experimental studies on the configuration,state of aggregation and carbocyanine molecular structure domino effect of its properties are introduced in this paper.

绍了碳菁分子构型、聚集态及碳菁分子性质的构效应的量子化学理论与实验研究情况,综述了国内外学者碳菁分子的量子化学计算方法的研究进展。

Typically landscapes or seascapes, with sky occupying nearly half of the composition, Luminist works are distinguished by cool, clear colors and meticulously detailed objects modeled by light.

光亮主义作品的特点是用清澈的冷色调，用光线构型的物体的细致入微的细节描写。

Then ultrasonic wave and solvent were exerted into the crystallizable solution to change its natures,adjust the formation of crystal water and affect the change of crystal configuration.

然后通过施加超声波、溶剂等来改变晶溶液的特性，以调节晶水形成，干预晶体构型变化。

In this paper,the geometries of leucine,its thermolytic intermediate and final products are optimized by AM1 method,respectively.The parameters of the total energy and bond order etc are obtained.

用AM1方法全优化计算了亮氨酸及其热分解中间产物、产物分子的几何构型，得到其总能量、键级等数据。

The structure shows a distorted trigonal bipyramidal configuration with five-coordinations to a central tin atom.

结果表明,化合物中锡原子呈五配位畸变三角双锥构型。

Like light meromyosin, tropomyosin contains two peptide chains in a coiled coil conformation.

象轻酶解肌球蛋白一样，原肌球蛋白含有两个肽链，其构型为盘旋螺旋。

I like the general style of the building, but the chimneys are out of proportion—they're too big.

我喜欢这栋房子的总构型, 可太大, 不成比例。

MNDO calculations and group theory were carried out on tetraphenyl porphyrine(TPP) to obtain its optimum molecular geometry.

运用MNDO计算和群论，优化得到了较满意的中位取代四苯基卟啉(H2TPP)的分子构型。

Two different symmetric configurations in the electronic structure of propadiene molecule are calculated by adopting PSHONDO SCF full electronic ab initio calculation.

采用PSHONDO-SCF全电子从头计算程序,丙分子的两种不同称性构型的电子结构进行计算。

The second-order NLO properties of a series of tri-nuclear transition metal clusters with incomplete cubane-like structures were studied by using the first-principle quantum chemical method.

研究了具有欠完整立方烷构型的过渡金属原子簇分子的阶非线性光学性质。

Abstract A method is suggested to determine the absolute configuration of ent kaurene diterpenoids by analysing the circular dichroism spectral data of 13 hydroxy ent kaurenoids.

摘要通过系列13羟基映贝壳萜的园色散光谱的数据分析，提出一种确定映贝壳萜绝构型的方法。

In this paper,according to ground state energy,microcosmic spin configuration of ground state of three sublittice is discussed,saturated magnetic moment of each sublattice in ground state is given.

根据基态能量，讨论基态的自旋微观构型，给出基态子晶格的饱和磁矩.

The quantum chemical theoretic and experimental studies on the configuration,state of aggregation and carbocyanine molecular structure domino effect of its properties are introduced in this paper.

本文介绍了碳菁分子构型、聚集态及碳菁分子性质的结构效应的量子化学理论与实验研究情况,综述了国内外学者碳菁分子的量子化学计算方法的研究进展。

Typically landscapes or seascapes, with sky occupying nearly half of the composition, Luminist works are distinguished by cool, clear colors and meticulously detailed objects modeled by light.

光亮主义作品的特点用清澈的冷色调，用光线构型的物体的细致入微的细节描写。

Then ultrasonic wave and solvent were exerted into the crystallizable solution to change its natures,adjust the formation of crystal water and affect the change of crystal configuration.

然后通过施加超声波、溶剂等来改变结晶溶液的特性，以调节结晶水形成，干预晶体构型变化。

In this paper,the geometries of leucine,its thermolytic intermediate and final products are optimized by AM1 method,respectively.The parameters of the total energy and bond order etc are obtained.

用AM1方法全优化计算了亮氨酸及其热分解中间产物、产物分子的几何构型，得到其总能量、键级等数据。

The structure shows a distorted trigonal bipyramidal configuration with five-coordinations to a central tin atom.

结果表明,化合物中锡原子呈五配位畸变三角双锥构型。

Like light meromyosin, tropomyosin contains two peptide chains in a coiled coil conformation.

象肌球蛋白一样，原肌球蛋白含有两个肽链，其构型为盘旋螺旋。

I like the general style of the building, but the chimneys are out of proportion—they're too big.

我喜欢这栋房子的总构型, 可是烟囱太大, 不成比例。

MNDO calculations and group theory were carried out on tetraphenyl porphyrine(TPP) to obtain its optimum molecular geometry.

运用MNDO计算和群论，优化得到了较满意的中位取代四苯基卟啉(H2TPP)的分子构型。

Two different symmetric configurations in the electronic structure of propadiene molecule are calculated by adopting PSHONDO SCF full electronic ab initio calculation.

采用PSHONDO-SCF全电子从头计算程序,丙二烯分子的两种不同称性构型的电子结构进行计算。

The second-order NLO properties of a series of tri-nuclear transition metal clusters with incomplete cubane-like structures were studied by using the first-principle quantum chemical method.

研究了具有欠完整立方烷构型的过渡金属原子簇分子的二阶非线性光学性质。

Abstract A method is suggested to determine the absolute configuration of ent kaurene diterpenoids by analysing the circular dichroism spectral data of 13 hydroxy ent kaurenoids.

摘要通过系列13羟基映贝壳杉烯二萜的园二色散光谱的数据分析，提出一种确定映贝壳杉烯二萜绝构型的方法。

In this paper,according to ground state energy,microcosmic spin configuration of ground state of three sublittice is discussed,saturated magnetic moment of each sublattice in ground state is given.

根据基，讨论基的自旋微观构型，给出基子晶格的饱和磁矩.

The quantum chemical theoretic and experimental studies on the configuration,state of aggregation and carbocyanine molecular structure domino effect of its properties are introduced in this paper.

本文介绍了碳菁分子构型、聚集及碳菁分子性质的结构效应的子化学理论与实验研究情况,综述了国内外学者碳菁分子的子化学计算方法的研究进展。

Typically landscapes or seascapes, with sky occupying nearly half of the composition, Luminist works are distinguished by cool, clear colors and meticulously detailed objects modeled by light.

光亮主义作品的特点是用清澈的冷色调，用光线构型的物体的细致入微的细节描写。

Then ultrasonic wave and solvent were exerted into the crystallizable solution to change its natures,adjust the formation of crystal water and affect the change of crystal configuration.

然后通过施加超声波、溶剂等来改变结晶溶液的特性，以调节结晶水形成，干预晶体构型变化。

In this paper,the geometries of leucine,its thermolytic intermediate and final products are optimized by AM1 method,respectively.The parameters of the total energy and bond order etc are obtained.

用AM1方法全优化计算了亮氨酸及其热分中间产物、产物分子的几何构型，得到其总、键级等数据。

The structure shows a distorted trigonal bipyramidal configuration with five-coordinations to a central tin atom.

结果表明,化合物中锡原呈五配位畸变三角双锥。

Like light meromyosin, tropomyosin contains two peptide chains in a coiled coil conformation.

象轻酶解肌球蛋白一样，原肌球蛋白含有两个肽链，其为盘旋螺旋。

I like the general style of the building, but the chimneys are out of proportion—they're too big.

我喜欢这栋房总, 可是烟囱太大, 不成比例。

MNDO calculations and group theory were carried out on tetraphenyl porphyrine(TPP) to obtain its optimum molecular geometry.

运用MNDO计算和群论，优化得到了较满意中位取代四苯基卟啉(H2TPP)。

Two different symmetric configurations in the electronic structure of propadiene molecule are calculated by adopting PSHONDO SCF full electronic ab initio calculation.

采用PSHONDO-SCF全电从头计算程序,丙二烯两种不同称性电结进行计算。

The second-order NLO properties of a series of tri-nuclear transition metal clusters with incomplete cubane-like structures were studied by using the first-principle quantum chemical method.

研究了具有欠完整立方烷过渡金属原簇二阶非线性光学性质。

Abstract A method is suggested to determine the absolute configuration of ent kaurene diterpenoids by analysing the circular dichroism spectral data of 13 hydroxy ent kaurenoids.

摘要通过系列13羟基映贝壳杉烯二萜园二色散光谱数据析，提出一种确定映贝壳杉烯二萜绝方法。

In this paper,according to ground state energy,microcosmic spin configuration of ground state of three sublittice is discussed,saturated magnetic moment of each sublattice in ground state is given.

根据基态能量，讨论基态自旋微观，给出基态晶格饱和磁矩.

The quantum chemical theoretic and experimental studies on the configuration,state of aggregation and carbocyanine molecular structure domino effect of its properties are introduced in this paper.

本文介绍了碳菁、聚集态及碳菁性质结效应量化学理论与实验研究情况,综述了国内外学者碳菁量化学计算方法研究进展。

Typically landscapes or seascapes, with sky occupying nearly half of the composition, Luminist works are distinguished by cool, clear colors and meticulously detailed objects modeled by light.

光亮主义作品特点是用清澈冷色调，用光线物体细致入微细节描写。

Then ultrasonic wave and solvent were exerted into the crystallizable solution to change its natures,adjust the formation of crystal water and affect the change of crystal configuration.

然后通过施加超声波、溶剂等来改变结晶溶液特性，以调节结晶水形成，干预晶体变化。

In this paper,the geometries of leucine,its thermolytic intermediate and final products are optimized by AM1 method,respectively.The parameters of the total energy and bond order etc are obtained.

用AM1方法全优化计算了亮氨酸及其热解中间产物、产物几何，得到其总能量、键级等数据。

The structure shows a distorted trigonal bipyramidal configuration with five-coordinations to a central tin atom.

结果表明,化合物中锡原子呈五配位畸变三角双锥构型。

Like light meromyosin, tropomyosin contains two peptide chains in a coiled coil conformation.

象轻酶解肌球蛋白一样，原肌球蛋白含有两个肽链，其构型为盘旋螺旋。

I like the general style of the building, but the chimneys are out of proportion—they're too big.

我喜欢这栋房子的总构型, 可是烟囱太大, 不成比例。

MNDO calculations and group theory were carried out on tetraphenyl porphyrine(TPP) to obtain its optimum molecular geometry.

运用MNDO计论，优化得到了较满意的中位取代四苯基卟啉(H2TPP)的分子构型。

Two different symmetric configurations in the electronic structure of propadiene molecule are calculated by adopting PSHONDO SCF full electronic ab initio calculation.

采用PSHONDO-SCF全电子从头计程序,丙二烯分子的两种不同称性构型的电子结构进行计。

The second-order NLO properties of a series of tri-nuclear transition metal clusters with incomplete cubane-like structures were studied by using the first-principle quantum chemical method.

研究了具有欠完整立方烷构型的过渡金属原子簇分子的二阶非线性光学性质。

Abstract A method is suggested to determine the absolute configuration of ent kaurene diterpenoids by analysing the circular dichroism spectral data of 13 hydroxy ent kaurenoids.

过系列13羟基映贝壳杉烯二萜的园二色散光谱的数据分析，提出一种确定映贝壳杉烯二萜绝构型的方法。

In this paper,according to ground state energy,microcosmic spin configuration of ground state of three sublittice is discussed,saturated magnetic moment of each sublattice in ground state is given.

根据基态能量，讨论基态的自旋微观构型，给出基态子晶格的饱磁矩.

The quantum chemical theoretic and experimental studies on the configuration,state of aggregation and carbocyanine molecular structure domino effect of its properties are introduced in this paper.

本文介绍了碳菁分子构型、聚集态及碳菁分子性质的结构效应的量子化学理论与实验研究情况,综述了国内外学者碳菁分子的量子化学计方法的研究进展。

Typically landscapes or seascapes, with sky occupying nearly half of the composition, Luminist works are distinguished by cool, clear colors and meticulously detailed objects modeled by light.

光亮主义作品的特点是用清澈的冷色调，用光线构型的物体的细致入微的细节描写。

Then ultrasonic wave and solvent were exerted into the crystallizable solution to change its natures,adjust the formation of crystal water and affect the change of crystal configuration.

然后过施加超声波、溶剂等来改变结晶溶液的特性，以调节结晶水形成，干预晶体构型变化。

In this paper,the geometries of leucine,its thermolytic intermediate and final products are optimized by AM1 method,respectively.The parameters of the total energy and bond order etc are obtained.

用AM1方法全优化计了亮氨酸及其热分解中间产物、产物分子的几何构型，得到其总能量、键级等数据。

The structure shows a distorted trigonal bipyramidal configuration with five-coordinations to a central tin atom.

结果表明,化合物中锡原子呈五配位畸变三角双锥构型。

Like light meromyosin, tropomyosin contains two peptide chains in a coiled coil conformation.

象轻酶解肌球蛋白一样，原肌球蛋白含有两个肽链，其构型为盘旋螺旋。

I like the general style of the building, but the chimneys are out of proportion—they're too big.

我喜欢子总构型, 可是烟囱太大, 不成比例。

MNDO calculations and group theory were carried out on tetraphenyl porphyrine(TPP) to obtain its optimum molecular geometry.

运用MNDO计算和群论，优化得到了较满意中位取代四苯基卟啉(H2TPP)分子构型。

Two different symmetric configurations in the electronic structure of propadiene molecule are calculated by adopting PSHONDO SCF full electronic ab initio calculation.

采用PSHONDO-SCF全电子从头计算程序,丙二烯分子两种不同称性构型电子结构进行计算。

The second-order NLO properties of a series of tri-nuclear transition metal clusters with incomplete cubane-like structures were studied by using the first-principle quantum chemical method.

研究了具有欠完整立方烷构型过渡金属原子簇分子二阶非线性学性质。

Abstract A method is suggested to determine the absolute configuration of ent kaurene diterpenoids by analysing the circular dichroism spectral data of 13 hydroxy ent kaurenoids.

摘要通过系列13羟基映贝壳杉烯二萜园二色散数据分析，提出一种确定映贝壳杉烯二萜绝构型方法。

In this paper,according to ground state energy,microcosmic spin configuration of ground state of three sublittice is discussed,saturated magnetic moment of each sublattice in ground state is given.

根据基态能量，讨论基态自旋微观构型，给出基态子晶格饱和磁矩.

The quantum chemical theoretic and experimental studies on the configuration,state of aggregation and carbocyanine molecular structure domino effect of its properties are introduced in this paper.

本文介绍了碳菁分子构型、聚集态及碳菁分子性质结构效应量子化学理论与实验研究情况,综述了国内外学者碳菁分子量子化学计算方法研究进展。

Typically landscapes or seascapes, with sky occupying nearly half of the composition, Luminist works are distinguished by cool, clear colors and meticulously detailed objects modeled by light.

亮主义作品特点是用清澈冷色调，用线构型物体细致入微细节描写。

Then ultrasonic wave and solvent were exerted into the crystallizable solution to change its natures,adjust the formation of crystal water and affect the change of crystal configuration.

然后通过施加超声波、溶剂等来改变结晶溶液特性，以调节结晶水形成，干预晶体构型变化。

In this paper,the geometries of leucine,its thermolytic intermediate and final products are optimized by AM1 method,respectively.The parameters of the total energy and bond order etc are obtained.

用AM1方法全优化计算了亮氨酸及其热分解中间产物、产物分子几何构型，得到其总能量、键级等数据。

The structure shows a distorted trigonal bipyramidal configuration with five-coordinations to a central tin atom.

结果表明,化合物中锡原子呈五配位畸变三角双锥构型。

Like light meromyosin, tropomyosin contains two peptide chains in a coiled coil conformation.

象轻酶解肌球蛋白一样，原肌球蛋白含有两个肽链，其构型为盘旋螺旋。

I like the general style of the building, but the chimneys are out of proportion—they're too big.

我喜欢这栋房子的总构型, 可是烟囱太大, 不。

MNDO calculations and group theory were carried out on tetraphenyl porphyrine(TPP) to obtain its optimum molecular geometry.

运用MNDO计算和群论，优化得到了较满意的中位取代四苯卟啉(H2TPP)的分子构型。

Two different symmetric configurations in the electronic structure of propadiene molecule are calculated by adopting PSHONDO SCF full electronic ab initio calculation.

采用PSHONDO-SCF全电子从头计算程序,丙二烯分子的两种不同称性构型的电子结构进行计算。

The second-order NLO properties of a series of tri-nuclear transition metal clusters with incomplete cubane-like structures were studied by using the first-principle quantum chemical method.

研究了具有欠完整立方烷构型的过渡金属原子簇分子的二阶非线性光学性质。

Abstract A method is suggested to determine the absolute configuration of ent kaurene diterpenoids by analysing the circular dichroism spectral data of 13 hydroxy ent kaurenoids.

摘要通过系列13映贝壳杉烯二萜的园二色散光谱的数据分析，提出一种确定映贝壳杉烯二萜绝构型的方法。

In this paper,according to ground state energy,microcosmic spin configuration of ground state of three sublittice is discussed,saturated magnetic moment of each sublattice in ground state is given.

根据态能量，讨论态的自旋微观构型，给出态子晶格的饱和磁矩.

The quantum chemical theoretic and experimental studies on the configuration,state of aggregation and carbocyanine molecular structure domino effect of its properties are introduced in this paper.

本文介绍了碳菁分子构型、聚集态及碳菁分子性质的结构效应的量子化学理论与实验研究情况,综述了国内外学者碳菁分子的量子化学计算方法的研究进展。

Typically landscapes or seascapes, with sky occupying nearly half of the composition, Luminist works are distinguished by cool, clear colors and meticulously detailed objects modeled by light.

光亮主义作品的特点是用清澈的冷色调，用光线构型的物体的细致入微的细节描写。

Then ultrasonic wave and solvent were exerted into the crystallizable solution to change its natures,adjust the formation of crystal water and affect the change of crystal configuration.

然后通过施加超声波、溶剂等来改变结晶溶液的特性，以调节结晶水形，干预晶体构型变化。

In this paper,the geometries of leucine,its thermolytic intermediate and final products are optimized by AM1 method,respectively.The parameters of the total energy and bond order etc are obtained.

用AM1方法全优化计算了亮氨酸及其热分解中间产物、产物分子的几何构型，得到其总能量、键级等数据。

The structure shows a distorted trigonal bipyramidal configuration with five-coordinations to a central tin atom.

结果表明,化合物中锡原子呈五配位畸变三角双锥构型。

Like light meromyosin, tropomyosin contains two peptide chains in a coiled coil conformation.

象轻酶解肌球蛋白一样，原肌球蛋白含有两，其构型为盘旋螺旋。

I like the general style of the building, but the chimneys are out of proportion—they're too big.

我喜欢这栋房子的总构型, 可是烟囱太大, 不成比例。

MNDO calculations and group theory were carried out on tetraphenyl porphyrine(TPP) to obtain its optimum molecular geometry.

运用MNDO计算和群论，优化得到了较满意的中位取代四苯基卟啉(H2TPP)的分子构型。

Two different symmetric configurations in the electronic structure of propadiene molecule are calculated by adopting PSHONDO SCF full electronic ab initio calculation.

采用PSHONDO-SCF全电子从头计算程序,丙二烯分子的两种不同称性构型的电子结构进行计算。

The second-order NLO properties of a series of tri-nuclear transition metal clusters with incomplete cubane-like structures were studied by using the first-principle quantum chemical method.

研究了具有欠完整立方烷构型的过渡金属原子簇分子的二阶非线性光学性质。

Abstract A method is suggested to determine the absolute configuration of ent kaurene diterpenoids by analysing the circular dichroism spectral data of 13 hydroxy ent kaurenoids.

摘要通过系列13羟基杉烯二萜的园二色散光谱的数据分析，提出一种确定杉烯二萜绝构型的方法。

In this paper,according to ground state energy,microcosmic spin configuration of ground state of three sublittice is discussed,saturated magnetic moment of each sublattice in ground state is given.

根据基态能量，讨论基态的自旋微观构型，给出基态子晶格的饱和磁矩.

The quantum chemical theoretic and experimental studies on the configuration,state of aggregation and carbocyanine molecular structure domino effect of its properties are introduced in this paper.

本文介绍了碳菁分子构型、聚集态及碳菁分子性质的结构效应的量子化学理论与实验研究情况,综述了国内外学者碳菁分子的量子化学计算方法的研究进展。

Typically landscapes or seascapes, with sky occupying nearly half of the composition, Luminist works are distinguished by cool, clear colors and meticulously detailed objects modeled by light.

光亮主义作品的特点是用清澈的冷色调，用光线构型的物体的细致入微的细节描写。

Then ultrasonic wave and solvent were exerted into the crystallizable solution to change its natures,adjust the formation of crystal water and affect the change of crystal configuration.

然后通过施加超声波、溶剂等来改变结晶溶液的特性，以调节结晶水形成，干预晶体构型变化。

In this paper,the geometries of leucine,its thermolytic intermediate and final products are optimized by AM1 method,respectively.The parameters of the total energy and bond order etc are obtained.

用AM1方法全优化计算了亮氨酸及其热分解中间产物、产物分子的几何构型，得到其总能量、键级等数据。