Volume 32,Issue 3,2019 Table of Contents

Other Issues:  


  Abstract(267)  View PDF(213)   [HTML]


Advances in Enhanced Sampling Molecular Dynamics Simulations for Biomolecules
  An-hui Wang, Zhi-chao Zhang and Guo-hui Li*
  Abstract(5004)  View PDF(553)   [HTML]
Site-Dependent TERS Study of a Porphyrin Molecule on Ag(100) at 7 K
  Atif Ghafoor, Ben Yang, Yun-jie Yu, Yu-fan Zhang, Xian-biao Zhang, Gong Chen, Yao Zhang*, Yang Zhang and Zhen-chao Dong*
  Abstract(4579)  View PDF(372)   [HTML]
Channel-Resolved Ultrafast Dissociation Dynamics of NO2 Molecules Studied via Femtosecond Time-Resolved Ion Imaging
  Qin-xin Wang*, Dan-dan Shi, Jun-feng Zhang, Xue Wang, Yu Si, Chun-bin Gao, Jian Fang and Si-zuo Luo*
  Abstract(373)  View PDF(292)   [HTML]
In situ Investigations of Interfacial Degradation and Ion Migration at CH3NH3PbI3 Perovskite/Ag Interfaces
  Xiong Li, Hong-he Ding, Gui-hang Li, Yan Wang, Zhi-min Fang, Shang-feng Yang, Huan-xin Ju and Jun-fa Zhu*
  Abstract(572)  View PDF(235)   [HTML]
Photoionization and Dissociation Study of 2-Methyl-2-propen-1-ol: Experimental and Theoretical Insights
  Ye-peng Yu, Zhao-hui Li, Xuan Lin, Jun Chen, Hang Zhang, Yan-bo Li, Huang-huang Wang, Rui-rui Sun, Qing-hui Meng, Xiao-bin Shan, Fu-yi Liu* and Liu-si Sheng
  Abstract(362)  View PDF(239)   [HTML]
Ring-Polymer Molecular Dynamics Studies of Thermal Rate Coefficients for Reaction F+H2O→HF+OH
  Jun Li*
  Abstract(310)  View PDF(212)   [HTML]
First-Principles Study of Pd Single-Atom Catalysis to Hydrogen Desorption Reactions on MgH2(110) Surface
  Xin-xing Wu and Wei Hu*
  Abstract(436)  View PDF(231)   [HTML]
Two-Dimensional VDW Crystal SnP3 with High Carrier Mobility and Extraordinary Sunlight Absorbance
  Chen Wang, Ting Hu* and Erjun Kan*
  Abstract(349)  View PDF(288)   [HTML]
Numerical Convergence of the Sinc Discrete Variable Representation for Solving Molecular Vibrational States with a Conical Intersection in Adiabatic Representation
  Hai-mei Shi, Guang-hai Guo* and Zhi-gang Sun*
  Abstract(316)  View PDF(227)   [HTML]
Density Functional Theory Study of Selectivity of Crown Ethers to Li+ in Spent Lithium-Ion Batteries Leaching Solutions
  Yong-lin Yao, Mei-ying Zhu, Zhuo Zhao, Wen-gang Liu, Bi-hai Tong* and Ming-yang Li
  Abstract(440)  View PDF(261)   [HTML]
Fluorescence Emission Mediated by Metal-Dielectric-Metal Fishnet Metasurface: Spatially Selective Excitation and Double Enhancement
  Yuan Ren, Yong-hua Lu*, Tian-yang Zang, Sonia Ghafoor and Pei Wang*
  Abstract(453)  View PDF(223)   [HTML]
o-C8 Carbon: a New Allotrope of Superhard Carbon
  Jun-ru Kou, Ai-hua Cao, Song-li Liu and Li-hua Gan*
  Abstract(354)  View PDF(383)   [HTML]
Enhanced Property of Thin Cuprous Oxide Film Prepared through Green Synthetic Route
  Achraf El Kasmi*, Henning Vieker, Ling-nan Wu, André Beyer, Tarik Chafik and Zhen-yu Tian*
  Abstract(290)  View PDF(183)   [HTML]
Solution-based Synthesis of NiSb Nanoparticles for Electrochemical Activity in Hydrogen Evolution Reaction
  Yin-yin Qian, Jing Yang, Huan-ran Li, Shi-qi Xing and Qing Yang*
  Abstract(391)  View PDF(215)   [HTML]
Crystallization, Vitrification, and Gelation of Patchy Colloidal Particles
  Shu-jing Liu, Jiang-tao Li, Fang Gu* and Hai-jun Wang*
  Abstract(260)  View PDF(235)   [HTML]
Mesoporous MnSiO3@Fe3O4@C Nanoparticle as pH-responsive T1-T2* Dual-modal Magnetic Resonance Imaging Contrast Agent for Tumor Diagnosis
  Bei-chen Duan, Peng-ping Xu, Zhen Guo* and Qian-wang Chen*
  Abstract(537)  View PDF(246)   [HTML]

Chinese abstract

Chinese Abstracts
  Abstract(298)  View PDF(186)   [HTML]