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Acta Phys. -Chim. Sin.
Acta Phys. -Chim. Sin.
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中文
Current Issue
2018 Vol. 34,No. 5
Published: 24 January 2018
Current column
Table of Contents
HIGHLIGHT
RECOMMENDATION
REVIEW
ARTICLE
Table of Contents
Cover and Table of Contents for Vol. 34 No. 5
2018, 34 (5): 0.
738
Abstract/Metrics
122
PDF(8169KB)
HIGHLIGHT
Helical Chirality of the TPE Core
Minghua LIU
2018, 34 (5): 445-446.
DOI: 10.3866/PKU.WHXB201709293
2278
Abstract/Metrics
89
RichHTML
655
PDF(865KB)
4, 5, 9, 10-Pyrene Diimides: A Family of Aromatic Diimides Exhibiting High Electron Mobility and Two-Photon Excited Emission
Zhongfan LIU
2018, 34 (5): 447-448.
DOI: 10.3866/PKU.WHXB201710123
2542
Abstract/Metrics
31
RichHTML
929
PDF(446KB)
CsPb
0.9
Sn
0.1
IBr
2
Based All-Inorganic Perovskite Solar Cells Exhibit Improved Efficiency and Stability
Liming DING,Yibing CHENG,Jiang TANG
2018, 34 (5): 449-450.
DOI: 10.3866/PKU.WHXB201710121
3157
Abstract/Metrics
46
RichHTML
2172
PDF(769KB)
Preorganization and Cooperation Strategy for Highly Efficient and Reversible Capture of Low-Concentration CO
2
Using Ionic Liquids
Buxing HAN
2018, 34 (5): 451-452.
DOI: 10.3866/PKU.WHXB201710122
1833
Abstract/Metrics
27
RichHTML
781
PDF(595KB)
Large-Area Synthesis of Two-Dimensional Metallic TaS
2
and Ultrahigh Electrocatalytic Hydrogen Evolution Reaction
Jinlong YANG
2018, 34 (5): 453-454.
DOI: 10.3866/PKU.WHXB201710272
2651
Abstract/Metrics
32
RichHTML
1207
PDF(1133KB)
RECOMMENDATION
Constant Temperature from Phase Space View of Ensembles of Excited States
Shubin LIU
2018, 34 (5): 455-455.
DOI: 10.3866/PKU.WHXB201711082
1898
Abstract/Metrics
16
RichHTML
387
PDF(205KB)
REVIEW
Oil-Water Separation Based on the Materials with Special Wettability
Wentao LI,Jiale YONG,Qing YANG,Feng CHEN,Yao FANG,Xun HOU
The frequency of oil-spill accidents and industrial wastewater discharges have caused severe water pollution, not only r...
2018, 34 (5): 456-475.
DOI: 10.3866/PKU.WHXB201709211
6331
Abstract/Metrics
114
RichHTML
3542
PDF(3939KB)
ARTICLE
Syntheses and Luminescent Properties of Coordination Polymers Based on 1, 2, 4-Triazole-Substituted Resorcin[4]arene
Xue HAN,Jin YANG,Yingying LIU,Jianfang MA
Two new coordination polymers, namely, [[Zn2(TTR4A)(L)2]·DMF·4H2O]n (compound 1) and [[Co(TTR4A)Cl2]·DMA&...
2018, 34 (5): 476-482.
DOI: 10.3866/PKU.WHXB201709151
3549
Abstract/Metrics
34
RichHTML
Supporting Info
1183
PDF(1953KB)
Structure of Aqueous RbCl and CsCl Solutions Using X-Ray Scattering and Empirical Potential Structure Refinement Modelling
Yongquan ZHOU,Yoshie SOGA,Toshio YAMAGUCHI,Yan FANG,Chunhui FANG
X-ray scattering measurements were performed on 1.0 mol·dm-3 RbCl and CsCl aqueous solutions. The X-ray structure f...
2018, 34 (5): 483-491.
DOI: 10.3866/PKU.WHXB201709111
2826
Abstract/Metrics
23
RichHTML
928
PDF(2131KB)
Phase Space View of Ensembles of Excited States
Ágnes NAGY
The density functional theory and its extension to ensembles of excited states can be formalized as thermodynamics. Howe...
2018, 34 (5): 492-496.
DOI: 10.3866/PKU.WHXB201709221
2116
Abstract/Metrics
24
RichHTML
571
PDF(245KB)
Application of Natural Orbital Fukui Functions and Bonding Reactivity Descriptor in Understanding Bond Formation Mechanisms Underlying [2+4] and [4+2] Cycloadditions of
o
-Thioquinones with 1, 3-Dienes
Chaoxian YAN,Fan YANG,Ruizhi WU,Dagang ZHOU,Xing YANG,Panpan ZHOU
o-Thioquinones can undergo either [2+4] or [4+2] cycloaddition reactions with acyclic dienes. To illustrate the bonding ...
2018, 34 (5): 497-502.
DOI: 10.3866/PKU.WHXB201709222
3050
Abstract/Metrics
24
RichHTML
1021
PDF(807KB)
Revealing Molecular Electronic Structure
via
Analysis of Valence Electron Density
Tian LU,Qinxue CHEN
Numerous real space functions have been purposed so far for unveiling chemically interesting molecular electronic struct...
2018, 34 (5): 503-513.
DOI: 10.3866/PKU.WHXB201709252
10045
Abstract/Metrics
376
RichHTML
4324
PDF(3997KB)
Generalized Hirshfeld Partitioning with Oriented and Promoted Proatoms
Farnaz HEIDAR-ZADEH,Paul W. AYERS
In this study, we show how to generalize Hirshfeld partitioning methods to possibly include non-spherical proatom densit...
2018, 34 (5): 514-518.
DOI: 10.3866/PKU.WHXB201710101
2145
Abstract/Metrics
14
RichHTML
523
PDF(294KB)
Fukui Function and Local Softness Related to the Regioselectivity of Electrophilic Addition Reactions
Zunwei ZHU,Qiaofeng YANG,Zhenzhen XU,Dongxia ZHAO,Hongjun FAN,Zhongzhi YANG
Regioselectivities of electrophilic addition reactions of hydrogen chloride to asymmetric alkenes and benzeneselenenyl b...
2018, 34 (5): 519-527.
DOI: 10.3866/PKU.WHXB201710126
2686
Abstract/Metrics
20
RichHTML
753
PDF(642KB)
Chemical Bonding and Interpretation of Time-Dependent Electronic Processes with Maximum Probability Domains
Andreas SAVIN
Tools have been designed obtain information about chemical bonds from quantum mechanical calculations. They work well fo...
2018, 34 (5): 528-536.
DOI: 10.3866/PKU.WHXB201710111
2115
Abstract/Metrics
14
RichHTML
601
PDF(7348KB)
Adsorption of Hydrazoic Acid on Pristine Graphyne Sheet: A Computational Study
Jyotirmoy DEB,Debolina PAUL,David PEGU,Utpal SARKAR
Herein we have investigated the interaction between hydrazoic acid (HN3) and a pristine graphyne system based on density...
2018, 34 (5): 537-542.
DOI: 10.3866/PKU.WHXB201710161
2629
Abstract/Metrics
17
RichHTML
751
PDF(951KB)
Synthesis, Characterization, and Antibacterial Activity of Rare Earth-Catechin Complexes
Kang YU,Cuicui TIAN,Xia LI,Xuepin LIAO,Bi SHI
Three kinds of novel coordination compounds [Re3+-C] (Re = La, Gd, Er; C = Catechin) were synthesized by the liquid-phas...
2018, 34 (5): 543-550.
DOI: 10.3866/PKU.WHXB201709291
2871
Abstract/Metrics
23
RichHTML
883
PDF(707KB)