欢迎您!
东篱公司
退出
申报数据库
申报指南
立项数据库
成果数据库
期刊论文
会议论文
著 作
专 利
项目获奖数据库
位置:
成果数据库
>
期刊
> 期刊详情页
Relativistic Density-Functional Theory Study on the 139La Chemical Shifts and Electronic Spectra of
ISSN号:1546-1955
期刊名称:Journal of Computational and Theoretical Nanoscien
时间:0
页码:434-438
语言:英文
相关项目:纳米尺寸微孔限制体内溶液中分子振动驰豫的模拟研究
作者:
Weihong Mi|Zhanxian Gao|Peng Jin|Shenmin Li|Ce Hao|
同期刊论文项目
纳米尺寸微孔限制体内溶液中分子振动驰豫的模拟研究
期刊论文 17
会议论文 6
获奖 4
同项目期刊论文
人体端粒中(3+1)混合结构G-四链体稳定性的分子动力学模拟
单壁碳纳米管内受限溶剂中振动光谱探针的混合量子-经典动力学模拟
The interaction between C-28 (T-d) and X (X=H and F)
How accurate is time-independent perturbation theory for calculating frequency shifts of diatomic: m
Proton transfer in nanoconfined polar solvents. 1. Free energies and solute position
混合量子-经典动力学方法研究反胶团水池中Ⅰ_2分子的振动频率位移
圆柱形纳米孔道内受限溶液I_2/Ar的分子动力学模拟研究
A TD-DFT study on dissociative loss of the axial and equatorial carbonyl for HCo(CO)(4)
Comparative molecular dynamics simulations of histone deacetylase-like protein: Binding modes and fr
The interaction between oxygen atom and C-36 (D-6h)
Molecular dynamics simulation of the vibrational energy relaxation of I-2 in nano-confined argon sol
The Computational Vibrational and Ultraviolet Spectra Study of Endohedral Dimetallofullerene La2 @ C
Adsorption Characteristics of Atomic Nitrogen on Ruthenium Surfaces
Which configuration is more stable for La-2@C-80, D-3d or D-2h? Recomputation with ZORA methods with
Theoretical study on the motion of a La atom inside a C-82 cage
圆柱形纳米孔道内受限溶液I2/Ar的分子动力学模拟研究