×
验证码:
换一张
忘记密码?
记住我
CORC
首页
科研机构
检索
知识图谱
申请加入
托管服务
登录
注册
在结果中检索
科研机构
北京大学 [61]
内容类型
期刊论文 [55]
其他 [6]
发表日期
2016 [2]
2014 [2]
2013 [3]
2011 [3]
2010 [3]
2009 [1]
更多...
×
知识图谱
CORC
开始提交
已提交作品
待认领作品
已认领作品
未提交全文
收藏管理
QQ客服
官方微博
反馈留言
浏览/检索结果:
共61条,第1-10条
帮助
限定条件
专题:北京大学
第一署名单位
第一作者单位
通讯作者单位
已选(
0
)
清除
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
作者升序
作者降序
题名升序
题名降序
发表日期升序
发表日期降序
提交时间升序
提交时间降序
Initial Decomposition of Condensed-Phase 1,3,5-Triamino-2,4,6-trinitrobenzene under Shock Loading
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2017
He, Zheng-Hua
;
Chen, Jun
;
Wu, Qiang
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2017/12/03
DENSITY-FUNCTIONAL CALCULATIONS
MOLECULAR-DYNAMICS SIMULATIONS
BOND-DISSOCIATION ENERGIES
HIGH-PRESSURE
NITROAROMATIC MOLECULES
THERMAL-DECOMPOSITION
ELECTRONIC-STRUCTURE
FORCE-FIELD
BETA-HMX
TATB
The selectivity and activity of catalyst for CO hydrogenation to methanol and hydrocarbon: A comparative study on Cu, Co and Ni surfaces
期刊论文
SURFACE SCIENCE, 2016
Wang, Jingbo
;
Kawazoe, Yoshiyuki
;
Sun, Qiang
;
Chan, Siewhwa
;
Su, Haibin
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2017/12/03
Methanol
Hydrocarbon
Chain growth
Activity
Selectivity
BEP relation
FISCHER-TROPSCH SYNTHESIS
DENSITY-FUNCTIONAL THEORY
GENERALIZED GRADIENT APPROXIMATION
ADSORBATE-ADSORBATE INTERACTIONS
HIGHER ALCOHOL SYNTHESIS
CHAIN GROWTH-MECHANISM
TRANSITION-METALS
STRUCTURE SENSITIVITY
ACTIVATION-ENERGIES
SUPPORTED METALS
From intermolecular interactions to structures and properties of a novel cocrystal explosive: a first-principles study
期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2016
Zhang, Lei
;
Wu, Ji-Zhou
;
Jiang, Sheng-Li
;
Yu, Yi
;
Chen, Jun
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2017/12/04
GOOD COMPREHENSIVE PROPERTIES
ENERGETIC CO-CRYSTALS
SHOCK COMPRESSION
SENSITIVITY
CL-20
HNIW
2,4,6-TRINITROTOLUENE
CHEMISTRY
BTF
Experimental observation of TiN12+ cluster and theoretical investigation of its stable and metastable isomers
期刊论文
CHEMICAL SCIENCE, 2015
Ding, Ke-Wei
;
Li, Xiao-Wei
;
Xu, Hong-Guang
;
Li, Tao-Qi
;
Ge, Zhong-Xue
;
Wang, Qian
;
Zheng, Wei-Jun
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2017/12/03
MATRIX INFRARED-SPECTRA
BINARY AZIDES
ELECTRONIC SPECTROSCOPY
IR SPECTROSCOPY
NITROGEN-ATOMS
N-6 RING
COORDINATION
COMPLEXES
MOLECULES
CHEMISTRY
Mechanisms of the PtCl2-Catalyzed Intramolecular Cyclization of o-Isopropyl-Substituted Aryl Alkynes for the Synthesis of Indenes and Comparison of Three sp(3) C-H Bond Activation Modes
期刊论文
journal of organic chemistry, 2014
Wang, Yi
;
Liao, Wei
;
Huang, Genping
;
Xia, Yuanzhi
;
Yu, Zhi-Xiang
收藏
  |  
浏览/下载:8/0
  |  
提交时间:2015/11/11
1,5-HYDRIDE TRANSFER/RING CLOSURE
METAL-CATALYZED HYDROARYLATION
POLARIZABLE CONTINUUM MODEL
3+2 CYCLOADDITION REACTIONS
SOLVATION FREE-ENERGIES
TERMINAL ALKYNES
VINYLIDENE COMPLEXES
DENSITY FUNCTIONALS
HYDROGEN SHIFT
CHEMISTRY
Palladium-Catalyzed Meta-Selective C-H Bond Activation with a Nitrile-Containing Template: Computational Study on Mechanism and Origins of Selectivity
期刊论文
journal of the american chemical society, 2014
Yang, Yun-Fang
;
Cheng, Gui-Juan
;
Liu, Peng
;
Leow, Dasheng
;
Sun, Tian-Yu
;
Chen, Ping
;
Zhang, Xinhao
;
Yu, Jin-Quan
;
Wu, Yun-Dong
;
Houk, K. N.
收藏
  |  
浏览/下载:8/0
  |  
提交时间:2015/11/11
INTRAMOLECULAR ALKANE ARYLATION
PROTON-ABSTRACTION MECHANISM
AB-INITIO PSEUDOPOTENTIALS
ELECTRON-DEFICIENT ARENES
MOLECULAR-ORBITAL METHODS
EFFECTIVE CORE POTENTIALS
REMOTE FUNCTIONALIZATION
DENSITY FUNCTIONALS
TRANSITION-ELEMENTS
POLARIZATION FUNCTIONS
The Interactions of Oxygen with Small Gold Clusters on Nitrogen-Doped Graphene
期刊论文
molecules, 2013
Chen, Xin
;
Sun, Shaorui
;
Li, Fan
;
Wang, Xiayan
;
Xia, Dingguo
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2015/11/16
gold cluster
graphene
oxygen adsorption
density functional theory
CATALYTIC CO OXIDATION
ROOM-TEMPERATURE
MOLECULAR-OXYGEN
BERRYS PHASE
AU CLUSTERS
ADSORPTION
O-2
GAS
COADSORPTION
SIMULATION
Mild-Condition Synthesis of Allenes from Alkynes and Aldehydes Mediated by Tetrahydroisoquinoline (THIQ)
期刊论文
journal of organic chemistry, 2013
Jiang, Guo-Jie
;
Zheng, Qin-Heng
;
Dou, Meng
;
Zhuo, Lian-Gang
;
Meng, Wei
;
Yu, Zhi-Xiang
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2015/11/11
BOND-DISSOCIATION ENERGIES
HIGHLY ENANTIOSELECTIVE SYNTHESIS
ONE-POT SYNTHESIS
1,5-HYDRIDE TRANSFER/RING CLOSURE
CATALYTIC ASYMMETRIC-SYNTHESIS
AXIALLY CHIRAL ALLENES
C-H FUNCTIONALIZATION
TERMINAL ALKYNES
1,3-DISUBSTITUTED ALLENES
PROPARGYLIC ALCOHOLS
DFT Study on the Mechanism and Stereochemistry of the Petasis-Ferrier Rearrangements
期刊论文
journal of organic chemistry, 2013
Jiang, Guo-Jie
;
Wang, Yi
;
Yu, Zhi-Xiang
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2015/11/11
2ND-GENERATION TOTAL-SYNTHESIS
ALDER CYCLOADDITION REACTIONS
STEREOCONTROLLED SYNTHESIS
UNION/REARRANGEMENT
EVOLUTION
(+)-PHORBOXAZOLE-A
CONSTRUCTION
METATHESIS
COMPLEXES
EFFICIENT
DFT study of cobalt porphyrin complex for living radical polymerization of olefins
期刊论文
computational and theoretical chemistry, 2012
Dong, Huilong
;
Hou, Tingjun
;
Zhao, Yaguang
;
Fu, Xuefeng
;
Li, Youyong
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2015/11/12
Cobalt complexes
Living radical polymerization
Bond dissociation energy
Transition state
DFT
POLYATOMIC-MOLECULES
ORGANIC RADICALS
CHAIN TRANSFER
VINYL-ACETATE
ACRYLATES
DENSITY
WATER
ACID
©版权所有 ©2017 CSpace - Powered by
CSpace