Acta Chimica Sinica 2000 Issue 11 Improvements on the MRCISD Program

Improvements on the MRCISD Program
GAN Zheng-Ting;Su Ke-he;WANG Yu-bin;Wen Zhen-Yi

..............page:1471-1475

A DFT Study of Dissociation of Diborane (B2H6) in THF
FAN Yu-bo;WANG Quan-Rui;DING Zong-Biao;TAO Feng-Gang

..............page:1476-1479

Graphical Abstract

..............page:Ⅰ-Ⅵ

Adsorption on Siliceous Zeolites with Perfect Framework Ⅰ . Interaction of Ethylamine/FAU
YANG Hu;SUN Yao-Jun;PING Zheng-Hua;LONG Ying-Cai

..............page:1467-1470

Thermochemical Studies on the Quantity- Antibacterial Effect Relationship of Fluoroquinolones
SHEN Xue-song;LIU Yi;ZHOU Chuan-Pei;ZHAO Ru-ming;QU Song-Sheng

..............page:1463-1466

Synthesis, Structures and Up - conversion Luminescence Properties of Two New Organic Laser Dyes
REN Yan;FANG Qi;YU Wen-tao;LIU Zhi;LIU Zhi-Qiang;LEI Hong;JIANG Min-Hua

..............page:1457-1462

Direct Optical Resolution of the Enantiomers of Biphenyl Compounds by High- Performance Liquid Chromatography on Cellulose Tris - (3,5 - dimethylphenylcarbamate) Stationary Phase
LIU Yue-qi;LIU Xia;JIANG Sheng-xiang;CHEN Li-ren;CHANG Jun-Biao

..............page:1424-1428

A XAFS Study on the Fe- Substituted Mordenite
DONG Mei;WANG Jian-Guo;SUN Yu-Han;HU Tian-dou;LIU Tao;XIE Ya-Ning

..............page:1419-1423

Photochromism of Solid Solution of an Inclusion Compound Formed from 12- molybdenum Phosphoric Acid and Dextran
CHENG Xian-su;SU Ying-cao;GUAN Huai-min

..............page:1413-1418

Using Modified BP Neural Network for Non- Linear Modeling in Chemistry
LUO Ming-liang;LI Meng-long

..............page:1409-1412

Preparation, Characterization and Photocatalytic Properties of Titania Modified Monolayered Mesoporous MCM- 41
ZHENG Shan;GAO Lian;ZHANG Qing-Hong;GUO Jing-Kun

..............page:1403-1408

Atomic Force Microscope Observation of Langmuir Film of Side Chain Liquid Crystalline Polysiloxane
XUE Qing-Bin;YANG Kong-Zhang;CAI Lin-Tao;LIU Hong-Guo;CHEN Xiao;ZHANG Qi-Zhen;LU Zu-hong

..............page:1374-1379

Studies on the Nonlinear Optical Crystal of Vanillin Using Finite Field Method
LIN Chen-Sheng;WU Ke-Chen

..............page:1369-1373

Thermodynamic and Kinetic Studies on the Reaction of Singlet CCl2 and O3
YIN Ping;CHEN Xian-yang;ZHANG Jian-qiang;JU Guan-Zhi;LI Chong-de;XIN Xin-Quan

..............page:1365-1368

The Interaction Between the Aromatic Organic Counterion and Ionic Surfactant Micelle
Mao Min;HUANG Jian-bin;XIAO Jin-xin;HE Xu;ZHU Bu-yao

..............page:1358-1364

A Novel Molecular Electronegativity- Distance Vector (MEDV)
LIU Shu-shen;LIU Yan;LI Zhi-Liang;CAI Shao-Xi

..............page:1353-1357

Study on Aqueous Solution of NaCl with Monte Carlo Computer Simulation
LI Chun-Xi;LI Yi-gui;YANG Lin-Yu;LU Jiu-fang

..............page:1349-1352

Determination of the Accurate Mass of Erythromycin Analogue Antibiotic by Electrospray Ionization/Time- of-flight Mass Spectrometry
HU Shou-Gang;GUO Yin-Long;LU Long

..............page:1452-1456

Study on Anodic Oxidation of Methanol by Use of an in situ FTIR Transmission Differential Spectroscopy Method
ZHOU Wei;WANG Jun-yi;SHENG Hai-Tao;JIANG Zhi-yu;YAN Man-Ming

..............page:1447-1451

Studies on the Antioxidant Effect and Release of Nitric Oxide of Alizarin and β- Carotene
CUI Jian;LI Zhao-long;HONG Xiao-yin

..............page:1442-1446

Study on 2D NMR Spectra of the Four Meridional Isomers in [ Co (3,3 - tri) (amp) Cl ] 2 + System
Qian-Jiang;TAO Zhu;ZHANG Jian-Xin;XU Yuan-zhi

..............page:1434-1441

Spectroscopic Study on a Photoluminescent Host- Guest Complex [ Au2 (μ - PNP)3 ] ( ClO4 )2
LI Dan;CHE Chi-Ming

..............page:1429-1433

Synthesis, Properties and Catalytic Activity of Rare Earth Complexes with Noncyclic Polyether- phenylalanine Schiff Base
WEI Dan-Yi;Lu Gui;YAO Ke-Min;SHEN Lian-Fang

..............page:1398-1402

An X-ray Diffraction Study on the Structure of Li2SO4·20H2O Solution
FANG Chun-hui;MA Pei-hua;FANG Yan;YANG Bo;LEI Ya-chuan

..............page:1393-1397

Structure Assignment of 8α- OH Phlegmariurine B-A Combined NMR and Density Functional Theory Investigation
TAN Xiao-Jian;WANG Hai-qing;JIANG Hua-Liang;ZHU Wei-liang;JIANG Shan-Hao;ZHU Da-Yuan;CHEN Kai-Xian;JI Ru-yun

..............page:1386-1392

Low- temperature Heat Capacity and Thermodynamic Properties of 2- Iodo- 3- nitrotoluene
DI You-Ying;LI Shuang;MENG Shuang-he;TAN Zhi-cheng;QU Song-Sheng

..............page:1380-1385

Studies on the Intrapair and Interpair Correlation of Electrons of HX
YIN Ping;CHEN Xian-yang;YAO Tian-Yang;JU Guan-Zhi;LI Chong-de;XIN Xin-Quan

..............page:1345-1348

Performance of Solid Oxide Fuel Cell Using BaCe0.9Y0.1O3-α as a Solid Electrolyte
MA Gui-Lin;JIA Ding-Xian;QIU Li-Gan

..............page:1340-1344

Carbon Nanotubes Growth Catalyzed by La2NiO4
LIANG Qi;LIU Bao-Chun;TANG Shui-Hua;LI Zhi-Jie;LI Qing;GAO Li-Zhen;ZHANG Bo-Lan;YU Zuo-Long

..............page:1336-1339

Substituent Effect on Reactivity of Triplet Diphenylcarbenes
HU Ying-Mo;HIRAI Katsuyuki;TOMIOKA Hideo

..............page:1332-1335

Direct Electrochemical Preparation of Titanium Alkoxides
ZHOU Xing-fu;CHU Dao-bao;GU Jia-Shang;LIN Chang-Jian;LIN Hua-shui;TIAN Zhong-Qun

..............page:1327-1331

In - situ Synthesis of B - Al - MFI - Type Zeolite Membrane on a Porous Glass Disc by Substrate Self- transformation
DONG Wei-Yang;REN Yu;LONG Ying-Cai

..............page:1311-1315

Effects of Catalysts on the Kinetics of CaO Desulfurization
WU Zeng-hua;KOU Peng;QIU Xin-Ping;XUE Fang-Yu;CHEN Chang-he

..............page:1316-1321

Enantioselective Epoxidation of Styrene on Ti - ZSM - 5 Synthesized by Gas- Solid Isomorphous Substitution
XU Cheng-Hua;LU Shao-jie;QIU Fa-li

..............page:1322-1326