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Chinese Academy of Sciences Institutional Repositories Grid
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CAS IR Grid
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化学研究所 [3]
金属研究所 [2]
地质与地球物理研究所 [2]
大连化学物理研究所 [2]
理论物理研究所 [1]
上海药物研究所 [1]
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OAI收割 [14]
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期刊论文 [14]
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2021 [1]
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2017 [1]
2014 [1]
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Chemistry [1]
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Spontaneous Freezing of Water between 233 and 235 K Is Not Due to Homogeneous Nucleation
期刊论文
OAI收割
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2021, 卷号: 143, 期号: 34, 页码: 13548-13556
作者:
Xue, Han
;
Fu, Yang
;
Lu, Youhua
;
Hao, Dezhao
;
Li, Kaiyong
  |  
收藏
  |  
浏览/下载:32/0
  |  
提交时间:2023/01/16
SUPERCOOLED LIQUID WATER
ICE NUCLEATION
MOLECULAR-MODEL
CRYSTALLIZATION
DROPLETS
RATES
TRANSITION
BEHAVIOR
VOLUME
SIZE
Voronoi volume recovery during plastic deformation in deep-notched metallic glasses
期刊论文
OAI收割
JOURNAL OF ALLOYS AND COMPOUNDS, 2019, 卷号: 776, 页码: 460-468
作者:
Cui, W.
;
Pan, J.
;
Blackwood, D. J.
;
Li, Y.
  |  
收藏
  |  
浏览/下载:20/0
  |  
提交时间:2021/02/02
Metallic glass
Molecular dynamics simulation
Triaxial stress state
Voronoi volume
Plastic deformation
Midlatitude land surface temperature impacts the timing and structure of glacial maxima
期刊论文
OAI收割
GEOPHYSICAL RESEARCH LETTERS, 2017, 卷号: 44, 期号: 2, 页码: 984-992
作者:
Huang, Yongsong
;
Loomis, Shannon
;
Liu, Zhengyu
;
Chen, Guangshan
;
Prell, Warren
  |  
收藏
  |  
浏览/下载:47/0
  |  
提交时间:2018/10/18
Ice Volume
Glacial Maxima
Land Surface Temperature
Loess
Molecular Paleoclimate
Branched Gdgts
A study on boundary force model used in multiscale simulations with non-periodic boundary condition
期刊论文
OAI收割
MICROFLUIDICS AND NANOFLUIDICS, 2014, 卷号: 16, 期号: 3, 页码: 587-595
作者:
Zhou, W. J.
收藏
  |  
浏览/下载:36/0
  |  
提交时间:2015/12/17
Multiscale simulation
Finite volume method
Molecular dynamics simulation
Non-periodic boundary condition
Boundary force
Surface properties of 3d transition metals
期刊论文
OAI收割
Philosophical Magazine, 2011, 卷号: 91, 期号: 27, 页码: 3627-3640
M. P. J. Punkkinen
;
Q. M. Hu
;
S. K. Kwon
;
B. Johansson
;
J. Kollar
;
L. Vitos
收藏
  |  
浏览/下载:21/0
  |  
提交时间:2012/04/13
surface relaxation
surface energy
surface stress
magnetic transition
metals
density functional theory
full charge-density
initio molecular-dynamics
total-energy
calculations
augmented-wave method
ab-initio
electronic-structure
atomic volume
work function
basis-set
relaxation
Contribution of Molecular Properties to Extrapolation of the Volume of Distribution in Human from Preclinical Animal Species Data
期刊论文
OAI收割
BIOPHARMACEUTICS & DRUG DISPOSITION, 2010, 卷号: 31, 期号: 8-9, 页码: 464-475
作者:
Sui, Xiaofan
;
Sun, Jin
;
Li, Haiyan
;
Pan, Yang
;
Wang, Yongjun
  |  
收藏
  |  
浏览/下载:27/0
  |  
提交时间:2019/01/08
volume of distribution
molecular descriptors
partial least squares
allometric method
Estimation and Prediction of the Physicochemical Properties of Imidazolium-Based Ionic Liquids
期刊论文
OAI收割
acta physico-chimica sinica, 2010, 卷号: 26, 期号: 6, 页码: 1463-1467
作者:
Liu Qing-Shan
;
Yang Miao
;
Tan Zhi-Cheng
;
Welz-Biermann, Urs
收藏
  |  
浏览/下载:49/0
  |  
提交时间:2010/11/30
Ionic liquids
Density
Surface tension
Parachor
Enthalpy of vaporization
Molecular volume
The structural transition and compaction of human telomeric G-quadruplex induced by excluded volume effect under cation-deficient conditions
期刊论文
OAI收割
biophysical chemistry, 2008, 卷号: 136, 期号: 2-3, 页码: 124-127
作者:
Zhou, Jun
;
Wei, Chunying
;
Jia, Guoqing
;
Wang, Xiuli
;
Tang, Qian
收藏
  |  
浏览/下载:24/0
  |  
提交时间:2010/11/30
human telomeric G-quadruplex
molecular crowding
excluded volume effect
structural transition
compaction
Free volume evolution in metallic glasses subjected to mechanical deformation
期刊论文
OAI收割
MATERIALS TRANSACTIONS, 2007, 卷号: 48, 期号: 7, 页码: 1816-1821
作者:
Li, Qi-Kai
;
Li, Mo
  |  
收藏
  |  
浏览/下载:21/0
  |  
提交时间:2019/04/09
Shear Band
Metallic Glass
Molecular Dynamics Simulation
Free Volume
Equations of state of CaSiO3 Perovskite: a molecular dynamics study
期刊论文
OAI收割
PHYSICS AND CHEMISTRY OF MINERALS, 2006, 卷号: 33, 期号: 2, 页码: 126-137
作者:
  |  
收藏
  |  
浏览/下载:22/0
  |  
提交时间:2018/09/26
CaSiO3 perovskite
molecular dynamics
molar volume
bulk modulus
lower mantle