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OAI收割 [7]
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期刊论文 [7]
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2019 [2]
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Physics [1]
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Regulating the performance of polybenzoxazine via the regiochemistry of amide substituents
期刊论文
OAI收割
POLYMER, 2019, 卷号: 181
作者:
Liu, Jingkai
;
Cao, Lijun
;
Dai, Jinyue
;
Xia, Dasha
;
Peng, Yunyan
  |  
收藏
  |  
浏览/下载:46/0
  |  
提交时间:2019/12/18
BONDING INTERACTION INFLUENCE
RING-OPENING POLYMERIZATION
SURFACE-FREE-ENERGY
GAUSSIAN-BASIS SETS
THERMAL-PROPERTIES
ATOMS LI
BENZOXAZINE
FURAN
BEHAVIOR
NETWORKS
First-principles study on OH-functionalized 2D electrides: Ca2NOH and Y2C(OH)(2), promising two-dimensional monolayers for metal-ion batteries
期刊论文
OAI收割
Applied Surface Science, 2019, 卷号: 478, 页码: 459-464
作者:
D.D.Wang
;
H.B.Li
;
L.L.Zhang
;
Z.H.Sun
;
D.X.Han
  |  
收藏
  |  
浏览/下载:26/0
  |  
提交时间:2020/08/24
OH-functionalized 2D electrides,Ca2NOH,Y2C(OH)(2),Adsorption and,diffusion of metal atoms,First-principles study,anode materials,na,electrons,surfaces,li,Chemistry,Materials Science,Physics
Precise measurement of Li-6 transition frequencies and hyperfine splitting
期刊论文
OAI收割
ACTA PHYSICA SINICA, 2018, 卷号: 67, 期号: 16, 页码: 7
作者:
Wu Yue-Long
;
Li Rui
;
Rui Yang
;
Jiang Hai-Feng
;
Wu Hai-Bin
  |  
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2021/11/29
Li-6 cold atoms
gray molasses
optical comb
precision measurement
Multistate Complete-Active-Space Second-Order Perturbation Theory Based on Density Matrix Renormalization Group Reference States
期刊论文
OAI收割
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2017, 卷号: 13, 期号: 10, 页码: 4829-4840
作者:
Yanai, T
;
Saitow, M
;
Xiong, XG
;
Chalupsky, J
;
Kurashige, Y
  |  
收藏
  |  
浏览/下载:27/0
  |  
提交时间:2018/08/30
Initio Quantum-chemistry
Gaussian-basis Sets
Wave-functions
Excited-states
Unitary-invariant
Energy Gradients
Size-consistent
Product States
Level Shift
Atoms Li
First-principles study of lithium adsorption on Si(100)2 x 1 and Ge(100)2 x 1 surface at 1.0 monolayer coverage
期刊论文
OAI收割
Chemical Physics, 2006, 卷号: 325, 期号: 2, 页码: 525-530
Z. G. Wang
;
X. T. Zu
;
J. L. Nie
;
H. Y. Xiao
收藏
  |  
浏览/下载:22/0
  |  
提交时间:2012/04/14
first-principles calculation
lithium adsorption
atomic structure
angle-resolved photoemission
energy electron-diffraction
core-level
spectroscopy
si(001)2x1-k surface
photoelectron-spectroscopy
alkali-metals
ab-initio
li
resolution
atoms
First-principle study of geometries, electronic structures and vibrational spectra of neutral and anionic onion-like [As@Ni(12)AS(20)]
期刊论文
OAI收割
CHINESE PHYSICS, 2005, 卷号: 14, 期号: 10, 页码: 1974
Liu, HT
;
Li, JM
收藏
  |  
浏览/下载:10/0
  |  
提交时间:2013/09/17
GENERALIZED GRADIENT APPROXIMATION
DENSITY-FUNCTIONAL THEORY
GAUSSIAN-BASIS SETS
BAND-GAP PROBLEM
AB-INITIO
MOLECULAR GEOMETRIES
ATOMS LI
EXCHANGE
OPTIMIZATION
CLUSTER
Bose-Einstein condensation in harmonic oscillator potentials
期刊论文
OAI收割
PHYSICA SCRIPTA, 1998, 卷号: 57, 期号: 3, 页码: 324-326
作者:
Yi, XX
;
Wang, HJ
;
Sun, CP
;
Yi, XX , NE Normal Univ, Inst Theoret Phys, Changchun 130024, Peoples R China.
  |  
收藏
  |  
浏览/下载:21/0
  |  
提交时间:2012/08/29
Gas
Atoms
Li-7
Scattering