Journal of the Chinese Chemical Society / 第50卷‧第3B期/200301 - 內容瀏覽 返回期刊詳目頁
-
Single Molecule Spectroscopy
作者: 梁國淦頁碼:477-516
-
A Detailed Theoretical Study of TiC(001) Relaxed Surface
作者: 李俊籛頁碼:517-523
-
A DFT/B3LYP Computational Study of Boron-Nitride Nanotubes
作者: 戴柏青頁碼:525-528
-
A Molecular Dynamics Simulation Study on Ion-Conducting Polymer sPBI-PS(Li+)
作者: 陳正隆頁碼:529-538
-
A Theoretical Study of N-methlyformamide Photolysis
作者: 方維海頁碼:539-544
-
A Theoretical Study of Face Selectivity in the Michael Addition of a Grignard Reagent with 5-Substituted-2-dicyanomethyleneadamantanes
作者: 孫英傑頁碼:545-549
-
An Alternate Mathematical Model for the TAP Technique for Numerical Integration
作者: 王德崢頁碼:551-555
-
Bifurcation Analysis of the Trans ? Cis Rotation of Monorotor Molecules
作者: 鄭秀瑤頁碼:557-563
-
Theoretical Study of the X+Ycl (X, Y=H, D) Reactions
作者: 韓克利頁碼:565-574
-
Computational Studies of the Growth Mechanism of Small Fullerenes: A Ring-Stacking Model
作者: 李錫隆頁碼:575-582
-
Calibration of Relativistic Energy-Consistent Small-Core Pseudopotentials for 3d-Transition Metals
作者:頁碼:583-592
-
Computations on a Series of Substituted Quinolines
作者:頁碼:593-596
-
Comparison of Different Polarization Schemes in Open-shell Relativistic Density Functional Calculations
作者: 劉文劍頁碼:597-606
-
Clustering, Saturated Vapors, and the Atmosphere
作者:頁碼:607-610
-
Density Functional Study of the Effect of SiH4/GeH4 and Si(001)/Ge(001) on Gas-Surface Reactivity during Initial Dissociative Adsorption
作者: 林志興頁碼:611-620
-
Density Functional Theory Studies of Adsorption and Vibrational Spectra of Hydrogen on the Rh(111) Surface
作者: 謝代前頁碼:621-626
-
Density-Functional-Theory Calculation of Semiconducting Carbon Nanotubes under an External Electric Field
作者: 李豐穎頁碼:627-629
-
Experimental and Theoretical Studies of Quantum Beats in Fluorescence
作者: 林倫年頁碼:631-639
-
Integral Representation of Heisenberg Operators and the Semiclassical Approximation
作者: 邵久書頁碼:641-644
-
Magnetic Exchange Interaction in [BNITPhOPr] and [Cu(Cl2CHCO2)2(NITpPy)2(H2O)]: A Density Functional Theory Study
作者: 陳志達頁碼:645-653
-
Modeling the Binding and Inhibition Mechanism of Nucleotides and Sulfotransferase Using Molecular Docking
作者: 楊裕雄頁碼:655-663
-
New Basis Sets for Lanthanide and Actinide Energy-consistent Small-core Pseudopotentials
作者: 曹曉燕頁碼:665-676
-
Computation of the Protein Structure Entropy and Its Applications to Protein Folding Processes
作者: 黃鎮剛頁碼:677-684
-
Structural Symmetry Study of Some Protonated Dimer Systems
作者: 儲三陽頁碼:685-690
-
Theoretical Investigation of the Spin-dependent Exciton Formation Rates in Polymeric Light-emitting Diodes
作者: 帥志剛頁碼:691-702
-
Theoretical Study on the Formation Mechanism of Resonance States for the Na + I2 R Na+ + I2- System
作者: 蔡政亭頁碼:703-706
-
Theoretical Chemical Study on NO Interaction with Cu
作者: 孫岳明頁碼:707-712
-
Theoretical Study on the Decomposition of NO via Dimer in the Presence of Cu
作者: 孫岳明頁碼:713-716
-
The Valence Bond Calculations on Conjugated Hydrocarbons of Medium to Infinite Sizes
作者: 江元生頁碼:717-728
-
Theoretical Study of the Fragmentation of Glycine Radical Cation
作者: 盧秀鳳頁碼:729-734
-
Theoretical Calculations on Vibrational Frequencies and Absorption Spectra of S1 and S2 States of Pyridine
作者: 吳德印頁碼:735-744
-
Theoretical Study of Photosynthetic Light-Harvesting Processes: Application of Time-Dependent Density Functional Theory
作者: 許昭萍頁碼:745-756
-
Theoretical Study on Intermolecular Interactions of Methyl Azide Dimers
作者: 肖鶴鳴頁碼:757-764
-
Theoretical Study of the Inter-ionic Hydrogen Bonding in the GZT Molecular System
作者: 陳成頁碼:765-775
-
Unified Semiclassical Theory for the Nonadiabatic Transition
作者: 朱超原頁碼:777-783
-
σπ Scheme in Atom-bond Electronegativity Equalization Method
作者: 楊忠志頁碼:785-794