中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
首页
机构
成果
学者
登录
注册
登陆
×
验证码:
换一张
忘记密码?
记住我
×
校外用户登录
CAS IR Grid
机构
大连化学物理研究... [464]
近代物理研究所 [137]
过程工程研究所 [91]
武汉物理与数学研究... [58]
上海应用物理研究所 [39]
金属研究所 [27]
更多
采集方式
OAI收割 [1027]
iSwitch采集 [41]
内容类型
期刊论文 [990]
会议论文 [42]
学位论文 [27]
项目 [6]
专利 [2]
专著章节/文集论文 [1]
更多
发表日期
2022 [26]
2021 [28]
2020 [35]
2019 [86]
2018 [70]
2017 [66]
更多
学科主题
物理化学 [53]
Physics [25]
支撑与管理::仿真与... [9]
半导体物理 [6]
Chemistry [5]
Engineerin... [3]
更多
筛选
浏览/检索结果:
共1068条,第1-10条
帮助
条数/页:
5
10
15
20
25
30
35
40
45
50
55
60
65
70
75
80
85
90
95
100
排序方式:
请选择
提交时间升序
提交时间降序
发表日期升序
发表日期降序
题名升序
题名降序
作者升序
作者降序
Interfacial structures and dissociation reactions of protic ionic liquids on Li metal surface: A combined first-principles and ab initio molecular dynamics investigation
期刊论文
OAI收割
CHEMICAL PHYSICS LETTERS, 2024, 卷号: 836, 页码: 6
作者:
Liu, Na
;
Liang, Jinwei
;
Lu, Yunxiang
  |  
收藏
  |  
浏览/下载:12/0
  |  
提交时间:2024/02/27
Protic ionic liquids
Dissociation reactions
SEI
Li metal
Enzymatic Synthesis of Noncanonical α-Amino Acids Containing γ-Tertiary Alcohols
期刊论文
OAI收割
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2024, 页码: 9
作者:
Zhang, Rui
;
Zhang, Chenghua
;
Tan, Jiamu
;
He, Yifan
;
Zhuo, Dan
  |  
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2024/02/27
Asymmetric Synthesis
Biocatalysis
Noncanonical Amino Acids
Quantum Chemical Calculations
Tertiary Alcohols
Temperature-Dependent Paracrystalline Nucleation in Atomically Disordered Diamonds
期刊论文
OAI收割
NANO LETTERS, 2023, 卷号: 24, 期号: 1, 页码: 312-318
作者:
Zhang, Zhongting
;
Fang, Zhouyu
;
Wu HA(吴恒安)
;
Zhu, Yinbo
  |  
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2024/02/19
paracrystalline diamonds
atomically disordered diamonds
amorphous carbons
free energy surface
Combining experimental analyses and molecular dynamics simulations in impurity removal at the Si/slag interface
期刊论文
OAI收割
METALLURGICAL RESEARCH & TECHNOLOGY, 2023, 卷号: 120, 期号: 4, 页码: 11
作者:
Liu, Yubao
;
Guo, Yibo
;
Li, Yaqiong
;
Liu, Yao
;
Fu, Jie
  |  
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2023/12/13
Impurity removal
slag refining
interface reaction
MD simulation
Atomistically-informed hardening and kinetics models of helium bubble in irradiated tungsten
期刊论文
OAI收割
INTERNATIONAL JOURNAL OF PLASTICITY, 2023, 卷号: 165, 页码: 103620
作者:
Ji, Changqiu
;
Hu JQ(胡剑桥)
;
Zhuang, Zhuo
;
Cui, Yinan
  |  
收藏
  |  
浏览/下载:12/0
  |  
提交时间:2023/06/15
Helium bubble
Irradiation
Tungsten
Dislocation
Interaction
Unraveling the catalytic mechanism of SARS-CoV-2 papain-like protease with allosteric modulation of C270 mutation using multiscale computational approaches
期刊论文
OAI收割
CHEMICAL SCIENCE, 2023, 卷号: 14, 期号: 18, 页码: 4681-4696
作者:
Shao, Qiang
;
Xiong, Muya
;
Li, Jiameng
;
Hu, Hangchen
;
Su, Haixia
  |  
收藏
  |  
浏览/下载:0/0
  |  
提交时间:2024/03/27
A chemo mechanical coupling model of oxidation and interlayer cracking of copper nanowires
期刊论文
OAI收割
JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS, 2023, 卷号: 174, 页码: 105259
作者:
Gong, Yulong
;
Yan, Xin
;
Wen JC(温济慈)
;
Meng, Qinghua
;
Li, Ang
  |  
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2023/04/20
Chemo mechanical coupling
Interlayer cracking
ReaxFF
Energy release rate
Oxidation
Copper nanowires
Direct observation of spreading precursor liquids in a corner
期刊论文
OAI收割
NATIONAL SCIENCE REVIEW, 2023, 页码: nwad119
作者:
Miao, Weining
;
Tian SH(田诗豪)
;
Yuan QZ(袁泉子)
;
Tian, Ye
;
Jiang, Lei
  |  
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2023/06/15
precursor liquid
spreading spatial-temporal characteristic
direct observation
corner
ionic liquids
Effects of oxidizers on the ignition and combustion characteristics of aluminum nanoparticles
期刊论文
OAI收割
COMPUTATIONAL MATERIALS SCIENCE, 2023, 卷号: 223, 页码: 112116
作者:
Zhou, Yintao
;
Shi, Baolu
;
Chu, Qingzhao
;
Liao LJ(廖丽涓)
  |  
收藏
  |  
浏览/下载:9/0
  |  
提交时间:2023/04/20
Aluminum nanoparticles
Oxidizer atmospheres
Ignition and combustion
Energy release
Reactive molecular dynamic simulation
Trans-level multi-scale simulation of porous catalytic systems: Bridging reaction kinetics and reactor performance
期刊论文
OAI收割
CHEMICAL ENGINEERING JOURNAL, 2023, 卷号: 455, 页码: 14
作者:
Li, Chengxiang
;
Xu, Ji
;
Qiu, Tianhao
;
Sun, Zikang
;
Zhang, Haolei
  |  
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2023/02/24
Multi-scale model
Molecular dynamics simulation
Reaction kinetics
Catalyst
Mesoscale