The geometries, bondings, and vibrational frequencies of C 2n H ( n =3-9) and C 2n -1 N( n =3-9) were investigated by means of density functional theory(DFT). The vertical excitation energies for th...The geometries, bondings, and vibrational frequencies of C 2n H ( n =3-9) and C 2n -1 N( n =3-9) were investigated by means of density functional theory(DFT). The vertical excitation energies for the X 2Π→ 2Π transitions of C 2n H( n =3-9) and for the X 2Σ→ 2Π and the X 2Π→ 2Π transitions of C 2n -1 N( n =3-9) have been calculated by the time-dependent density functional theory(TD-DFT) approach. On the basis of present calculations, the explicit expression for the wavelengths of the excitation energies in linear carbon chains is suggested, namely, λ 0=[1240 6A/(2+[KF(]3n+6-3n+3)](1-B e -Cn ), where A=3 24463, B=0 90742 , and C = 0 07862 for C 2n H, and A=2 94714, B=0 83929 , and C =0 08539 for C 2n -1 N. In consideration of a comparison of the theory with the experiment, both the expressions are modified as λ 1=0 92( λ 0+100) and λ 1= 0 95( λ 0+90) for C 2n H and C 2n -1 N, respectively. (1-B e -Cn ), where A=3 24463, B=0 90742 , and C = 0 07862 for C 2n H, and A=2 94714, B=0 83929 , and C =0 08539 for C 2n -1 N. In consideration of a comparison of the theory with the experiment, both the expressions are modified as λ 1=0 92( λ 0+100) and λ 1= 0 95( λ 0+90) for C 2n H and C 2n -1 N, respectively.展开更多
2N + 1-soliton solutions of Boussinesq-Burgers equation are obtained by using the Hirota bilinear derivative method and the perturbation technique.Further,we give the graphs of corresponding three-and five-soliton sol...2N + 1-soliton solutions of Boussinesq-Burgers equation are obtained by using the Hirota bilinear derivative method and the perturbation technique.Further,we give the graphs of corresponding three-and five-soliton solutions.展开更多
Valence of elements in HgBa_2Ca_(n-1)Cu_nO_(2n+2+δ)(n=1, 2, 3, 4) (both argon and oxygen annealed samples) were calculated. The result indicated for both argon and oxygen annealed samples, Hg had the lowest valence f...Valence of elements in HgBa_2Ca_(n-1)Cu_nO_(2n+2+δ)(n=1, 2, 3, 4) (both argon and oxygen annealed samples) were calculated. The result indicated for both argon and oxygen annealed samples, Hg had the lowest valence for the highest Tc sample. For fixed n, the valence of Cu in oxygen annealed samples was larger than that in argon annealed samples, indicating that oxygen annealed samples produce more carriers than argon annealed samples.展开更多
The study of the linear and nonlinear optical properties of Zn Ge P2 based on density functional theory has been carried out. In order to get a more physical picture in the infrared region, terms which are considered ...The study of the linear and nonlinear optical properties of Zn Ge P2 based on density functional theory has been carried out. In order to get a more physical picture in the infrared region, terms which are considered as the phonon effect were added to the calculated refractive dispersion curves. The phonon-corrected calculation curves show excellent agreement with experimental refractive indexes, which gives a better comprehension of the linear optical proprieties in the transparent region. The static nonlinear optical susceptibility was investigated using approaches based on the ＂sum over states＂ and the2 n ＋ 1 theorem methods. Both of the results of these two methods reasonably coincided with the experimental results.展开更多
利用常规研究方法,对甜菜单体附加系M 14品系(B eta vu lg aris L.,VV+1C、2n=18+1)的生殖方式进行细胞学与胚胎学研究.结果表明:(1)甜菜单体附加系M 14的4代细胞学检查表明:染色体组分别为VV+1C、2n=18+1;VV+0、2n=18+0;VV+2C、2n=18+2...利用常规研究方法,对甜菜单体附加系M 14品系(B eta vu lg aris L.,VV+1C、2n=18+1)的生殖方式进行细胞学与胚胎学研究.结果表明:(1)甜菜单体附加系M 14的4代细胞学检查表明:染色体组分别为VV+1C、2n=18+1;VV+0、2n=18+0;VV+2C、2n=18+2;VVV+0、2n=27+0;VVV+1C、2n=27+1;VVV+2C、2n=27+2等,其中VV+1C、2n=18+1的植株传递率平均为96.7%,表现为稳定传递,具有二倍体孢子无融合生殖特性;其余各种分离植株的传递率总计为3.25%,有性生殖发生率较低.(2)胚胎学研究表明,二倍体孢子无融合生殖的胚珠中,珠孔处看不到花粉管,胚囊没有发生受精作用.2个助细胞提前退化,半数卵细胞的极性与正常卵细胞相反;卵与次生核不经受精而自发分裂,卵细胞自发分裂产生无性胚,次生核自发分裂产生核型胚乳,而且次生核自发分裂早于卵细胞分裂;有性生殖胚珠中,珠孔处可见多条花粉管,胚囊里见到精卵融合的图像.表明甜菜单体附加系M 14是以二倍体孢子无融合生殖为主要繁殖方式,有性生殖为次要敏殖方式的兼性无融合生殖体.展开更多
基金Supported by the National Natural Science Foundation of China( Nos.2 0 1730 4 2 ,2 0 2 330 2 0 and2 0 0 2 10 0 2 ) and Trans-Century Training Programm e Foundation of the Educational Ministry of China
文摘The geometries, bondings, and vibrational frequencies of C 2n H ( n =3-9) and C 2n -1 N( n =3-9) were investigated by means of density functional theory(DFT). The vertical excitation energies for the X 2Π→ 2Π transitions of C 2n H( n =3-9) and for the X 2Σ→ 2Π and the X 2Π→ 2Π transitions of C 2n -1 N( n =3-9) have been calculated by the time-dependent density functional theory(TD-DFT) approach. On the basis of present calculations, the explicit expression for the wavelengths of the excitation energies in linear carbon chains is suggested, namely, λ 0=[1240 6A/(2+[KF(]3n+6-3n+3)](1-B e -Cn ), where A=3 24463, B=0 90742 , and C = 0 07862 for C 2n H, and A=2 94714, B=0 83929 , and C =0 08539 for C 2n -1 N. In consideration of a comparison of the theory with the experiment, both the expressions are modified as λ 1=0 92( λ 0+100) and λ 1= 0 95( λ 0+90) for C 2n H and C 2n -1 N, respectively. (1-B e -Cn ), where A=3 24463, B=0 90742 , and C = 0 07862 for C 2n H, and A=2 94714, B=0 83929 , and C =0 08539 for C 2n -1 N. In consideration of a comparison of the theory with the experiment, both the expressions are modified as λ 1=0 92( λ 0+100) and λ 1= 0 95( λ 0+90) for C 2n H and C 2n -1 N, respectively.
基金The NSF(11271008)of Chinathe First-class Discipline of University in Shanghai and the Shanghai Univ.Leading Academic Discipline Project(A.13-0101-12-004)
文摘2N + 1-soliton solutions of Boussinesq-Burgers equation are obtained by using the Hirota bilinear derivative method and the perturbation technique.Further,we give the graphs of corresponding three-and five-soliton solutions.
基金National Natural Science Foundation of China !(Grant No. 29871029)Laboratory of Rare Earth Chemistry and Physics, Changchun
文摘Valence of elements in HgBa_2Ca_(n-1)Cu_nO_(2n+2+δ)(n=1, 2, 3, 4) (both argon and oxygen annealed samples) were calculated. The result indicated for both argon and oxygen annealed samples, Hg had the lowest valence for the highest Tc sample. For fixed n, the valence of Cu in oxygen annealed samples was larger than that in argon annealed samples, indicating that oxygen annealed samples produce more carriers than argon annealed samples.
基金supported by the National Natural Science Foundation of China(Grant No.51202250)the Knowledge Innovation Program of the Chinese Academy of Sciences(Grant No.13J131211)
文摘The study of the linear and nonlinear optical properties of Zn Ge P2 based on density functional theory has been carried out. In order to get a more physical picture in the infrared region, terms which are considered as the phonon effect were added to the calculated refractive dispersion curves. The phonon-corrected calculation curves show excellent agreement with experimental refractive indexes, which gives a better comprehension of the linear optical proprieties in the transparent region. The static nonlinear optical susceptibility was investigated using approaches based on the ＂sum over states＂ and the2 n ＋ 1 theorem methods. Both of the results of these two methods reasonably coincided with the experimental results.
文摘利用常规研究方法,对甜菜单体附加系M 14品系(B eta vu lg aris L.,VV+1C、2n=18+1)的生殖方式进行细胞学与胚胎学研究.结果表明:(1)甜菜单体附加系M 14的4代细胞学检查表明:染色体组分别为VV+1C、2n=18+1;VV+0、2n=18+0;VV+2C、2n=18+2;VVV+0、2n=27+0;VVV+1C、2n=27+1;VVV+2C、2n=27+2等,其中VV+1C、2n=18+1的植株传递率平均为96.7%,表现为稳定传递,具有二倍体孢子无融合生殖特性;其余各种分离植株的传递率总计为3.25%,有性生殖发生率较低.(2)胚胎学研究表明,二倍体孢子无融合生殖的胚珠中,珠孔处看不到花粉管,胚囊没有发生受精作用.2个助细胞提前退化,半数卵细胞的极性与正常卵细胞相反;卵与次生核不经受精而自发分裂,卵细胞自发分裂产生无性胚,次生核自发分裂产生核型胚乳,而且次生核自发分裂早于卵细胞分裂;有性生殖胚珠中,珠孔处可见多条花粉管,胚囊里见到精卵融合的图像.表明甜菜单体附加系M 14是以二倍体孢子无融合生殖为主要繁殖方式,有性生殖为次要敏殖方式的兼性无融合生殖体.
