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科研机构
近代物理研究所 [12]
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期刊论文 [12]
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2019 [1]
2018 [1]
2017 [2]
2015 [3]
2011 [1]
2008 [3]
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In Situ Measure of Intrinsic Bond Strength in Crystalline Structures: Local Vibrational Mode Theory for Periodic Systems
期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2019, 卷号: 15, 期号: 3, 页码: 1761-1776
作者:
Cremer, Dieter
;
Tian, Chuan
;
Qiu, Yue
;
Verma, Niraj
;
Sethio, Daniel
收藏
  |  
浏览/下载:46/0
  |  
提交时间:2019/11/10
Description of an unusual hydrogen bond between carborane and a phenyl group
期刊论文
JOURNAL OF ORGANOMETALLIC CHEMISTRY, 2018, 卷号: 865, 页码: 114-127
作者:
Zou, Wenli
;
Zhang, Xiaolei
;
Dai, Humin
;
Yan, Hong
;
Cremer, Dieter
收藏
  |  
浏览/下载:55/0
  |  
提交时间:2018/10/08
B-H center dot center dot center dot pi H-Bond
Synthesis of Ir-Phosphine complexes
Borane-benzene complexes
Local stretching force constants
Bond strength orders
Energy density H(r)
First principle study of electronic structures and optical absorption properties of O and S doped graphite phase carbon nitride (g-C3N4)(6) quantum dots
期刊论文
ACTA PHYSICA SINICA, 2017, 卷号: 66, 页码: 11
作者:
Zhai Shun-Cheng
;
Guo Ping
;
Zheng Ji-Ming
;
Zhao Pu-Ju
;
Suo Bing-Bing
收藏
  |  
浏览/下载:30/0
  |  
提交时间:2018/05/31
(g-C3N4)(6) quantum dots
energy gap
doped
optical absorption
All-Metal Aromatic Sandwich Binuclear Complexes: Electronic Structures, Aromaticity and Interactions with Hydrogen via Multicenter Bonds
期刊论文
CHEMISTRYSELECT, 2017, 卷号: 2, 页码: 6206-6211
作者:
Zhu, Haiyan
;
Cao, Tingting
;
Zhang, Qiyan
;
Liang, Ximin
;
Suo, Bingbing
收藏
  |  
浏览/下载:29/0
  |  
提交时间:2018/05/31
All-metal compound
Aromaticity
Density functional theory
Hydrogen multicenter bond
Hydrogen storage
Two dimetallocenes with vanadium and chromium: Electronic structures and their promising application in hydrogen storage
期刊论文
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2015, 卷号: 40, 页码: 12047-12056
作者:
Meng, Yong
;
Han, Ying
;
Zhu, Haiyan
;
Yang, Zhanying
;
Shen, Kaiyuan
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2018/05/31
Sandwich-type dimetallocenes
Electronic structures
Hydrogen storage
Intercalated aromatic molecule effect on super-hard C-20 fullerene materials
期刊论文
DIAMOND AND RELATED MATERIALS, 2015, 卷号: 55, 页码: 139-143
作者:
Zhu, Haiyan
;
Li, Jianfu
;
Xu, Ning
;
Han, Ying
;
Meng, Yong
收藏
  |  
浏览/下载:14/0
  |  
提交时间:2018/07/05
Super Hard
C-20 Fullerene
High Pressure
Aromatic Molecules Intercalated
Tunable dipole induced hydrogen bonds between a hydrogen molecule and alkali halides
期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2015, 卷号: 17, 页码: 20361-20367
作者:
Zhu, Haiyan
;
Huang, Bolong
;
Li, Jianfu
;
Jiang, Zhenyi
;
Wang, Bo
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2018/05/31
Density functional study on helium and hydrogen interstitials in silicon carbide
期刊论文
NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS, 2011, 卷号: 269, 页码: 2067-2074
作者:
Cheng, Wei
;
Ying, Min-Ju
;
Zhang, Feng-Shou
;
Zhou, Hong-Yu
;
Ren, Shang-Fen
收藏
  |  
浏览/下载:8/0
  |  
提交时间:2018/05/31
Helium interstitials
Hydrogen interstitials
Ab initio simulation
Silicon carbide
Phonon
The solvation of NaCl in model water with different hydrogen bond strength
期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2008, 卷号: 129, 页码: 7
作者:
Gu, B.
;
Zhang, F. S.
;
Wang, Z. P.
;
Zhou, H. Y.
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2018/05/31
hydrogen bonds
reaction kinetics theory
sodium compounds
solvation
solvent effects
Quantum-mechanical calculations of vibrationally resolved cross sections for non-dissociative charge transfer of O3+ with H-2
期刊论文
ACTA PHYSICA SINICA, 2008, 卷号: 57, 期号: 2, 页码: 947-956
作者:
Wu Yong
;
Liu Ling
;
Wang Jian-Guo
收藏
  |  
浏览/下载:12/0
  |  
提交时间:2010/10/29
non-dissociative electron capture
molecular-orbital close-coupling method
infinite-order sudden approximation
vibrational sudden approximation
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