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期刊论文 [24]
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Assessment of Ab Initio and Density Functional Theory Methods for the Excitations of Donor-Acceptor Complexes: The Case of the Benzene-Tetracyanoethylene Model
期刊论文
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2018, 卷号: 19, 期号: 4
作者:
Xu, Peng
;
Zhang, Cai-Rong
;
Wang, Wei
;
Gong, Ji-Jun
;
Liu, Zi-Jiang
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2019/11/15
excited states
ab initio
density functional theory
donor-acceptor complexes
charge transfer
Application of Near-IR Absorption Porphyrin Dyes Derived from Click Chemistry as Third-Order Nonlinear Optical Materials
期刊论文
CHEMISTRYOPEN, 2016
Mi, Yongsheng
;
Liang, Pengxia
;
Yang, Zhou
;
Wang, Dong
;
Cao, Hui
;
He, Wanli
;
Yang, Huai
;
Yu, Lian
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2017/12/03
Click reactions
near-infrared absorption
porphyrin derivatives
self-assembly
third-order nonlinear optical properties
2-PHOTON ABSORPTION
2+2 CYCLOADDITION
APPROXIMATION
SPECTROSCOPY
CHROMOPHORES
ENHANCEMENT
DERIVATIVES
BEHAVIOR
POLYMER
ALKYNES
Hydroxide-Initiated Conversion of Aromatic Nitriles to Imidazolines: Fullerenes vs TCNE
期刊论文
organic letters, 2013, 卷号: 15, 期号: 18, 页码: 4646-4649
Hou HL
;
Li ZJ
;
Li SH
;
Chen S
;
Gao X
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2014/04/15
C-60
CHEMISTRY
C-70
TETRACYANOETHYLENE
DERIVATIVES
FULLEROOXAZOLES
OXAZOLINATION
ADDITIONS
ANIONS
DIMERS
The adsorption and reconstruction of strong electron acceptor tetracyanoethylene (TCNE) on Si(001)-(2 x 1): A density functional theory investigation
期刊论文
SURFACE SCIENCE, 2012, 卷号: 606, 期号: 3-4, 页码: 523
Cai, YX
;
Wu, XX
;
Liu, HJ
;
Fu, WC
;
Liu, Q
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2013/09/23
INITIO MOLECULAR-DYNAMICS
TOTAL-ENERGY CALCULATIONS
AUGMENTED-WAVE METHOD
BASIS-SET
NANOSTRUCTURES
METALS
TEMPERATURE
NANOMESH
SURFACES
POINTS
Strong Charge-Transfer Chromophores from [2+2] Cycloadditions of TCNE and TCNQ to Peripheral Donor-Substituted Alkynes
期刊论文
EUROPEAN JOURNAL OF ORGANIC CHEMISTRY, 2011, 期号: 32, 页码: 6445-6451
作者:
Chen, Songhua
;
Li, Yongjun
;
Liu, Chao
;
Yang, Wenlong
;
Li, Yuliang
收藏
  |  
浏览/下载:54/0
  |  
提交时间:2019/04/09
Donor-acceptor Systems
Cycloaddition
Charge Transfer
Aggregate Morphology
Electrical and Raman properties of p-type and n-type modified graphene by inorganic quantum dot and organic molecule modification
期刊论文
SCIENCE CHINA-PHYSICS MECHANICS & ASTRONOMY, 2011, 卷号: 54, 期号: 3, 页码: 416-419
作者:
Liu, LW (刘立伟)
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  |  
浏览/下载:6/0
  |  
提交时间:2012/08/24
p-type and n-type graphene
electrical property
Raman property
Electrical and Raman properties of p-type and n-type modified graphene by inorganic quantum dot and organic molecule modification
期刊论文
SCIENCE CHINA-PHYSICS MECHANICS & ASTRONOMY, 2011, 卷号: 54, 期号: 3, 页码: 416
Hou, YX
;
Geng, XM
;
Li, YZ
;
Dong, B
;
Liu, LW
;
Sun, MT
收藏
  |  
浏览/下载:14/0
  |  
提交时间:2013/09/17
FILMS
OXIDE
Polyimides membranes for pervaporation and biofuels separation
期刊论文
Progress in Polymer Science (Oxford), 2009, 卷号: 34, 期号: 11, 页码: 1135-1160
作者:
Jiang, Lan Ying*
;
Wang, Yan
;
Chung, Tai-Shung
;
Qiao, Xiang Yi
;
Lai, Jun-Yih
收藏
  |  
浏览/下载:9/0
  |  
提交时间:2019/12/03
APD
alternating polyelectrolyte deposition
BAPP
3,3-bis[4-(4-aminophenoxy)phenyl]phthalide
BATB
1,4-bis(4-aminophenoxy)-2-tert-butylbenzene
BADTB
1,4-bis(4-aminophenoxy)-2,5-tert-butylbenzene
BHTDA
3,3′,4,4′-benzhydrol tetracarboxylic dianhydride
BMTC
2,5-bis(methoxycarbonyl)terephthaloyl chloride
BPDA (BP)
3,3′,4,4′-biphenyltetracarboxylic dianhydride
BTDA (BT)
3,3′,4,4′-benzophenone tetracarboxylic dianhydride
β-CD
β-cyclodextrin
CSP
ceramic supported polymer
CTC
charge transfer complex
CVDP
chemical vapor deposition and polymerization
DABA
3,5-diaminobenzoic acid
DABC
trans-4,4′-diaminodibenzo-18-crown-6
DANT
1,5-diaminonaphthalene
DAPy
2,6-diaminopyridine
DBAPB
2,2′-dimethyl-4,4′-bis(4-aminophenoxy)biphenyl
DBSA
2,4-diaminobenzenesulfonic acid
DDBT
2,8,(6)-dimethyl-3,7-diaminobenzothiophene-5,5-dioxide
DEB
2,2′-diethynylbenzidine
DMMDA
4,4′-diamino-3,3′-dimethyldiphenylmethane
DSDA
3,3′,4,4′-diphenylsulfone tetracarboxylic dianhydride
EDA
ethylene diamine or 1,2-diaminoethane
EG
ethylene glycol
FPEI
fluorinated polyetherimide
HMDA
hexamethylene diamine
HQDPA
1,4-bis(3,4-dicarboxyphenoxy) benzene dianhydride
Kapton®
polyimide from pyrromellitic dianhydride and aromatic diamines (e.g., m-phenylenediamine, bis(4-aminophenyl)ether)
Matrimid® 5218
polyimide of 3,3′,4,4′-benzophenone tetracarboxylic dianhydride and diamino-phenylindane
MDA
4,4′-diaminodiphenylmethane or 4,4′-methylene diamine
MDMS
1, 3-bis(3-aminopropyl) tetramethyldisiloxane
MgO
magnesium oxide
MTBE
methyl-tert-butyl-ether
ODA
4,4′-diaminodiphenyl ether or 4-aminophenyl ether or 4,4′-oxydianiline
ODMS
α, ω-bis(3-aminopropyldimethyl)oligodimethylsiloxane
ODPA
4,4′-oxydiphthlic dianhydride
PAA
poly(amic acid)
PAI
polyamide-imide
PAN
poly(acryl nitrile)
PAH
poly(allylamine hydrochloride)
PBI
polybenzimidazole
PDMS
polydimethylsiloxane
PDADMAC
poly(diallyldimethylammonium chloride)
PEBA
poly ether block amide
PEI
polyetherimide or polyethylenimine (polyions)
PEO
poly(ethylene oxide)
PES
polyethersulfone
PFDAB
2-(perfluorohexyl)ethyl-3,5-diaminobenzoate
PI-2080
polyimid of benzophenone tetracarboxylic acid and a mixure of diisocyannates [(toluene diisocyanate + methylenebis (phenyl isocyanate))
PMDA (PM)
pyrromellitic dianhydride
PPO
poly(propylene oxide)
Psf
polysulfone
PSSA
poly(styrene sulfuric acid)
PTFE
polytetrafluoroethene
PTHF
poly(tetrahydrofuran)
PTMSP
poly[1-(trimethylsilyl)-1-propyne]
PUR
polyurethane
PUR-urea
polyurethanurea
PVA
poly(vinyl alcohol)
PVDF
polyvinylidene fluoride
P84®
co-polyimide of 3,3′,4,4′-benzophenone tetracarboxylic dianhydride-methylphenylene diamine/methylene diamine
SIDA
siloxane diamine
SDPA
4,4′-sulfonyl diphthalic anhydride
TCE
trichloroethylene
TCNE
tetracyanoethylene
TFC
thin film composite
TrMPD
2,4,6-trimethyl-1,3-phenylenediamine
VOC
volatile organic compounds
3MPD
2,4,6-trimethyl-1,3-phenylenediamine
4MPD
2,3,5,6-tetramethyl-1,4-pphenylenediamine
6FDA
2,2′-bis(3,4-dicarboxyphenyl) hexafluoropropane dianhydride
6FpDA
4,4′-hexafluoroisopropylidene dianiline
m-PDA
meta-phenylenediamine or 3,5-diaminobenzene
p-PDA
para-phelenediamine or 1,4-diaminobenzene
Polyimides membranes
Dehydration
Liquid/liquid separation
Biofuels
Pervaporation
博士论文-碳材料的第一性原理研究
学位论文
博士, 北京: 中国科学院研究生院, 2009
作者:
高斌
收藏
  |  
浏览/下载:78/0
  |  
提交时间:2015/10/12
第一性原理计算
密度泛函理论
X射线谱学
大尺度体系计算
Near-edge x-ray absorption studies of Na-doped tetracyanoethylene films: A model system for the V(TCNE)(x) room-temperature molecular magnet
期刊论文
PHYSICAL REVIEW B, 2008, 卷号: 77, 期号: 5, 页码: 54420
作者:
Carlegrim, E
;
Gao, B
;
Kanciurzewska, A
;
de Jong, MP
;
Wu, Z
收藏
  |  
浏览/下载:16/0
  |  
提交时间:2016/06/29
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