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Applying a new interatomic potential for the simulation of monoclinic and triclinic LiSiO 期刊论文
Materials Chemistry and Physics, 2018, 卷号: Vol.214, 页码: 548-556
作者:  Sheng-Gui Ma;  Xiang-Gang Kong;  Shi-Chang Li;  Yan-Hong Shen;  Xiao-Jun Chen
收藏  |  浏览/下载：3/0  |  提交时间：2019/02/25
The hyperfine structure branching ratios and ab initio study on low-lying electronic states for (MgF)-Mg-24-F-19 molecule 期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2018, 卷号: Vol.204, 页码: 763-769
作者:  Yang, Quan-Shun;  Gao, Tao
收藏  |  浏览/下载：4/0  |  提交时间：2019/02/25
The electronic and optical properties of amorphous silica with hydrogen defects by ab initio calculations 期刊论文
Journal of Semiconductors, 2018, 卷号: 第39卷, 页码: P14-19
作者:  Dahua Ren;  Baoyan Xiang;  Cheng Hu;  Kai Qian;  Xinlu Cheng
收藏  |  浏览/下载：4/0  |  提交时间：2019/02/28
Electronic and Magnetic Properties of 5d, 5d, and 5d Double Perovskites BaMOsO : Ab Initio Study 期刊论文
Inorganic Chemistry, 2018, 卷号: Vol.57 No.8, 页码: 4441-4447
作者:  Liu, M.;  Hu, C.-E.;  Chen, X.-R.
收藏  |  浏览/下载：4/0  |  提交时间：2019/02/25
New insight into the structure of PuGaO from ab initio particle-swarm optimization methodology 期刊论文
Journal Of Materials Chemistry A, 2018, 卷号: Vol.6 No.45, 页码: 22798-22808
作者:  Shichang Li;  Xiaoqiu Ye;  Tao Liu;  Tao Gao;  Shenggui Ma
收藏  |  浏览/下载：6/0  |  提交时间：2019/02/25
Ab initio investigation of structure, stability, thermal behavior and infrared spectra of (BN)(4) cluster 期刊论文
COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2018, 卷号: Vol.1141, 页码: 1-6
作者:  Zhao, Ying-Qin;  Liu, Lei;  Hu, Cui-E;  Cheng, Yan
收藏  |  浏览/下载：4/0  |  提交时间：2019/02/25
Ab initio potential energy surface and microwave spectra for the H-HCCCN complex. 期刊论文
The Journal Of Chemical Physics, 2017, 卷号: Vol.147 No.8, 页码: 084309
作者:  Qin M;  Zhu H;  Fan H
收藏  |  浏览/下载：5/0  |  提交时间：2019/02/25
Ab initio study of laser cooling of AlF+ and AlCl+ molecular ions. 期刊论文
Journal of Physics: B Atomic Molecular & Optical Physics, 2017, 卷号: Vol.50 No.10, 页码: 1
作者:  Shu-Ying Kang;  Fang-Guang Kuang;  Gang Jiang;  Dong-Bo Li;  Ying Luo
收藏  |  浏览/下载：3/0  |  提交时间：2019/03/01
LASER  cooling  ION  energy  DIPOLE  moments  
Detection of coherent electron dynamics in benzene and polycyclic aromatic hydrocarbons by two antiphase pulses: An ab initio study 期刊论文
APPLIED PHYSICS LETTERS, 2017, 卷号: Vol.111 No.25
作者:  Zhang, H;  Miyamoto, Y;  Cheng, XL
收藏  |  浏览/下载：3/0  |  提交时间：2019/02/28
Magnetic and optical properties of WO/TiO superlattice 期刊论文
Materials Chemistry and Physics, 2016, 卷号: Vol.173, 页码: 534-537
作者:  Jiao, T;  Jiao, JR
收藏  |  浏览/下载：2/0  |  提交时间：2019/02/25

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