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浏览/检索结果: 共9条，第1-9条 帮助 已选(0)清除 条数/页：5101520253035404550556065707580859095100   排序方式：请选择发表日期升序发表日期降序提交时间升序提交时间降序题名升序题名降序作者升序作者降序 A new Ca3MgSi2O8 compound and some of its thermodynamic properties 期刊论文 JOURNAL OF SOLID STATE CHEMISTRY, 2017, 卷号: 255, 页码: 145-149 作者:  Bao, Xinjian;  Zhang, Yanyao;  Zhang, Zhigang;  Zhang, Lifei;  Liu, Xiaoyang 收藏  |  浏览/下载：24/0  |  提交时间：2017/11/24 New Ca3MgSi2Os compound  Single-crystal X-ray diffraction  First-principles simulation  Compressibility  Heat capacity  Standard vibrational entropy   A new Ca3MgSi2O8 compound and some of its thermodynamic properties 期刊论文 JOURNAL OF SOLID STATE CHEMISTRY, 2017 Bao, Xinjian; Zhang, Yanyao; Zhang, Zhigang; Zhang, Lifei; Liu, Xiaoyang; Dong, Jianjun; Liu, Xi 收藏  |  浏览/下载：2/0  |  提交时间：2017/12/03 New Ca3MgSi2Os compound  Single-crystal X-ray diffraction  First-principles simulation  Compressibility  Heat capacity  Standard vibrational entropy  P2(1)/C-C2/C PHASE-TRANSITION  X-RAY  BEHAVIOR  SIMULATION  MERWINITE  MANTLE  FULL   Theoretical Studies of High-Pressure Phases, Electronic Structure, and Vibrational Properties of NaNH2 期刊论文 Journal of Physical Chemistry C, 2012, 卷号: 116, 期号: 15, 页码: 8387-8393 Y. Zhong; H. Y. Zhou; C. H. Hu; D. H. Wang; A. R. Oganov 收藏  |  浏览/下载：17/0  |  提交时间：2013/02/05 hydrogen-storage material  crystal-structure prediction  system  transition  desorption  dynamics  hydrides  spectra  naalh4  imides   Dynamic chiral-at-metal stability of tetrakis(d/l-hfc)Ln(III) complexes capped with an alkali metal cation in solution 期刊论文 http://dx.doi.org/10.1039/c2dt30431g, 2012 Lin, Yiji; Zou, Fang; Wan, Shigang; Ouyang, Jie; Lin, Lirong; Zhang, Hui; 章慧 收藏  |  浏览/下载：5/0  |  提交时间：2013/12/12 TRIPLE-HELICAL COMPLEXES  CIRCULARLY-POLARIZED LUMINESCENCE  COORDINATION CHEMISTRY  LANTHANIDE COMPLEXES  ENANTIOMERIC DIFFERENTIATION  CHIROPTICAL PROPERTIES  MOLECULAR RECOGNITION  EU(III) COMPLEXES  CRYSTAL-STRUCTURE  NMR-SPECTROSCOPY   Pressure-Induced Phase Transition in Hydrogen-Bonded Supramolecular Structure: Guanidinium Nitrate 期刊论文 JOURNAL OF PHYSICAL CHEMISTRY B, 2010, 卷号: 114, 期号: 20, 页码: 6765-6769 作者:  Wang, R;  Li, SR;  Wang, K;  Duan, DF;  Tang, LY 收藏  |  浏览/下载：21/0  |  提交时间：2016/06/29 Pressure-Induced Phase Transition in Hydrogen-Bonded Supramolecular Adduct Formed by Cyanuric Acid and Melamine 期刊论文 JOURNAL OF PHYSICAL CHEMISTRY B, 2009, 卷号: 113, 期号: 44, 页码: 14719-14724 作者:  Wang, K;  Duan, DF;  Wang, R;  Liu, D;  Tang, LY 收藏  |  浏览/下载：11/0  |  提交时间：2016/06/29 Crystal structure prediction of LiBeH3 using ab initio total-energy calculations and evolutionary simulations 期刊论文 JOURNAL OF CHEMICAL PHYSICS, 2008, 卷号: 129, 期号: 23, 页码: 12 作者:  Hu, Chao-Hao;  Oganov, A. R.;  Wang, Y. M.;  Zhou, H. Y.;  Lyakhov, A. 收藏  |  浏览/下载：1/0  |  提交时间：2021/02/02 ab initio calculations  beryllium compounds  crystal structure  density functional theory  desorption  energy gap  enthalpy  ground states  heat of formation  high-pressure solid-state phase transformations  hydrogen storage  lithium compounds  space groups   Crystal structure prediction of LiBeH3 using ab initio total-energy calculations and evolutionary simulations 期刊论文 JOURNAL OF CHEMICAL PHYSICS, 2008, 卷号: 129, 期号: 23, 页码: 12 作者:  Hu, Chao-Hao;  Oganov, A. R.;  Wang, Y. M.;  Zhou, H. Y.;  Lyakhov, A. 收藏  |  浏览/下载：2/0  |  提交时间：2021/02/02 ab initio calculations  beryllium compounds  crystal structure  density functional theory  desorption  energy gap  enthalpy  ground states  heat of formation  high-pressure solid-state phase transformations  hydrogen storage  lithium compounds  space groups   Crystal structure prediction of LiBeH(3) using ab initio total-energy calculations and evolutionary simulations 期刊论文 Journal of Chemical Physics, 2008, 卷号: 129, 期号: 23 C. H. Hu; A. R. Oganov; Y. M. Wang; H. Y. Zhou; A. Lyakhov; J. Hafner 收藏  |  浏览/下载：14/0  |  提交时间：2012/04/13 ab initio calculations  beryllium compounds  crystal structure  density  functional theory  desorption  energy gap  enthalpy  ground states  heat  of formation  high-pressure solid-state phase transformations  hydrogen  storage  lithium compounds  space groups  hydrogen-storage materials  density-functional calculations  lithium-beryllium hydrides  augmented-wave method  light-metal hydrides  electronic-structure  aluminum hydrides  phase-transition  stability  csmgh3