Acta Chimica Sinica 2006 Issue 20 TDDFT Study on Electronic Absorption Spectra and Second-order NLO Properties of Penta-nuclear Planar "Open" Transition Metal Cluster Complexes

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Acta Chimica Sinica
0567-7351
2006 Issue 20

TDDFT Study on Electronic Absorption Spectra and Second-order NLO Properties of Penta-nuclear Planar "Open" Transition Metal Cluster Complexes
PAN Ying;LIU Cai-Ping;ZENG Bao-Shan;LI Qiao-Hong;WU Ke-Chen

..............page:2039-2045

Theoretical Study on the Reactions of Two-membered Si-O Rings with CFn (n= 1 ～3) Radicals
GUO Guan-Lun;ZHU Rong-Xiu;ZHANG Dong-Ju;LIU Cheng-Bu

..............page:2046-2050

Study of Oxidative Desulfurization of Fluid Catalytic Cracking Gasoline by Phase Transfer Catalysis
ZHAO Di-Shun;REN Hong-Wei;MA Si-Guo;LIU Cui-Wei

..............page:2086-2090

Investigation of Phase Equilibria for Lennard-Jones Fluid in Slit Pores by Density Functional Theory
FU Dong;LIANG Li-Li;YAN Shu-Mei;LIAO Tao

..............page:2091-2095

An Assay for the Activity of DNA Methylase Based on a Hairpin Fluorescence Molecular Probe and Its Application in Drug Selection
ZHOU Xing-Wang;LI Jun;WANG Ke-Min;TAN Wei-Hong;YANG Xiao-Hai;MENG Xiang-Xian;YAN Hong-Fei

..............page:2096-2100

Study on the Interaction between Tb(Ⅲ) and PNIPAM Grafted Core-Shell Nanoparticles
YIN Wei-Qing;CHEN Ming-Qing;LU Tian-Hong;MITSURU Akashid;HUANG Xiao-Hua

..............page:2127-2131

Graphical Abstract

..............page:Ⅰ-Ⅳ

Study on Cationic Fluorocarbon Surfactants Ⅰ. Growth and Properties of Micelles in Aqueous Solution
DONG Shu-Li;LI Xin;XU Gui-Ying

..............page:2051-2056

Theoretical Studies on Structures and Properties of Benzene and Its Nitrogen Isoelectronic Equivalents
LIANG Xiao-Qin;PU Xue-Mei;SHU Yuan-Jie;TIAN An-Min

..............page:2057-2064

QSAM-based Computer-aided Virtual Vaccine Library Design
ZHOU Peng;LI Zhi-Liang;TIAN Fei-Fei;ZHANG Meng-Jun

..............page:2065-2070

A Theoretical Study on the Mechanism of Ruthenium(Ⅱ)-catalyzed Reaction of Organic Azide with Alkyne
ZHOU Yu-Bing;KE Zhuo-Feng;ZHAO Cun-Yuan

..............page:2071-2078

Molecular Dynamics Simulations and Free Energy Calculation on Glutamine-binding Protein
HU Jian-Ping;SUN Ting-Guang;CHEN Wei-Zu;WANG Cun-Xin

..............page:2079-2085

Interaction of Cucurbit[n=6, 7, 8] with Aniline and Its Derivates
ZENG Qi-Hua;ZHU Qian-Jiang;XUE Sai-Feng;MU Lan;TAO Zhu

..............page:2101-2110

Synthesis and Characterization of Terpolymer Poly(propylene Cyclohexene Carbonate)s
ZOU Ying-Nan;MENG Yue-Zhong

..............page:2111-2114

Interaction between Sm(Ⅲ)(MTB)2 Metal Complex and Herring Sperm DNA
WANG Xing-Ming;LI Hong-Bo;LIU Hai-Ping;HU Ya-Min;DING Li-Sheng;ZHAO Shi-Lin

..............page:2115-2119

A Convenient Synthesis of 3,3'-Bi-1,6-methano[10]annulene
LI Xiao-Juan;ZUO Sheng-Li;LIU Jian-Jun;ZHANG Jing-Chang

..............page:2120-2122

Preparation and Electro-property of Tungsten Carbide/Carbon Nanotube Composite
MA Chun-An;TANG Jun-Yan;LI Guo-Hua;SHENG Jiang-Feng

..............page:2123-2126