1
1/f fluctuation
Data Mining from Near-infrared Spectra of Plastics by 1/f Fluctuation
Vol.5, No.3, (1999)

Data Mining from Near-infrared Spectra of Plastics by 1/f Fluctuation(2)
- The Case of Flat Spectra of Dark Colored Plastics -
Vol.5, No.3, (1999)

Estimation of Elution Induce Time and 80% Elution Time of Polymer-Coated Manure by a Neural Network and Ck Interpolation Scheme
- Development of a Neural Network Simulator for Structure-Activity Correlation of Molecules: Neco (5) -
Vol.7, No.3, p.115 (2001)

2
2-D graph
Development of a Set of BASIC Subroutines for CAI
Vol.2, No.1, p.17 (1994)

Development of a CAI Program Utilizing Spreadsheet Data Files and a Collection of Data
Vol.4, No.1, p.11 (1997)

3
3-D graph
Development of a Set of BASIC Subroutines for CAI
Vol.2, No.1, p.17 (1994)

Development of a CAI Program Utilizing Spreadsheet Data Files and a Collection of Data
Vol.4, No.1, p.11 (1997)

3D motif finding
Automated Identification of Three-Dimensional Common Structural Features of Proteins
Vol.7, No.4, 161 (2001)

3D substructure searching
Automated Identification of Three-Dimensional Common Structural Features of Proteins
Vol.7, No.4, 161 (2001)

8
80% Elution Time
Estimation of Elution Induce Time and 80% Elution Time of Polymer-Coated Manure by a Neural Network and Ck Interpolation Scheme
- Development of a Neural Network Simulator for Structure-Activity Correlation of Molecules: Neco (5) -
Vol.7, No.3, p.115 (2001)

A
Ab Initio Molecular Orbital Calculation
A Novel Algorithm for Large-Scale Fock Matrix Generation with Small Local Distributed Memory Parallel Architecture.
- Relation to the Integral Cutoff -
Vol.6, No.3, (2000)

Abstract graph
Development of a Program for Construction of a Starting Material Library for AIPHOS
Vol.4, No.3, p.101

Academic Journal
Electronic Publishing of The Journal of Chemical Software
-Integrated Processing of On-line Publishing with Internet and Producing Printed Issues-
Vol.6, No.4, p.145 (2000)

ACD
Development of a Program for Construction of a Starting Material Library for AIPHOS
Vol.4, No.3, p.101

Acid-Base Titration
A Multimedia CAI Software Available on the World Wide Web
Vol.7, No.3, p.129 (2001)

Acid rain
Automatic Measuring System for Hydrogen Ion Concentration in Rainfall
Vol.4, No.3, (1998)

AIPHOS
Development of a Program for Construction of a Starting Material Library for AIPHOS
Vol.4, No.3, p.101

Alignment
Comparison Algorithm of Protein Sequences by Introducing a Lookup Table
Vol.3, No.3, p.97(1996)

AMBER
Development of Support Program for AMBER
Vol.5, No.1,

Amino acid sequence
Comparison Algorithm of Protein Sequences by Introducing a Lookup Table
Vol.3, No.3, p.97(1996)

Ammonium nitrate in dynamite
Determination of Ammonium Nitrate in Dynamite without Separation by Multivariate Analysis Using X-ray Diffractometer
Vol.4, No.1, p.33 (1997)

Analogue column model
An Analogue Column Model for Nonlinear Isotherms: The Double-Glazed Vessel Model
Vol.6, No.4, p127 (2000)

Angular Part
A Novel Representation of the Angular Part of Atomic Orbitals
Vol.7, No.1, p.29 (2001)

Anthradichromene
Electronic State of Anthra[1,9-bc : 4,10-b'c']dichromene and Structural Analysis of Its Endoperoxide
Vol.3, No.2, p.47 (1996)

Aromatic-aromatic interaction
Evaluation of Enthalpies of Benzene-Monosubstituted Benzene interactions by Semi-Empirical MO Calculations.
Their Relationship to the Experimental Enthalpies Determined by GLPC
Vol.5, No.2,

Atomic orbital
Visualization of Atomic Orbitals of the Hydrogen Atom
Vol.3, No.1, p.35 (1996)

Interactive Animation of Hydrogen Atomic Orbitals Using QTVR (QuickTime Virtual Reality)
Vol.5, No.3 (1999)

A Novel Representation of the Angular Part of Atomic Orbitals
Vol.7, No.1, p.29 (2001)

A Combination of Various Visualization Methods of Atomic Orbitals and Representations of Their Wave Character
Vol.8, No.1, p.7 (2002)

Atomic Orbital Wavefunction
Interactive Animation to Facilitate Understanding of the Visual Characteristics of Atomic Orbital Wavefunctions
Vol.7, No.2, p.87 (2001)

Auto-catalytic Reaction
A Simple Algorithm to Solve Non-linear Equations with Multiple Roots of Two Variables Appearing in Autocatalytic Reaction in Open Systems
Vol.5, No.2

AVS
A Novel Representation of the Angular Part of Atomic Orbitals
Vol.7, No.1, p.29 (2001)

Axial symmetry
Development of MagSaki Software for Magnetic Analysis of Dinuclear High-spin Cobalt(II) Complexes in an Axially Distorted Octahedral Field
Vol.7, No.4, p.171 (2001)

B
Back propagation
Development of NEural network simulator for structure-activity COrrelation of molecules: Neco
Vol.2, No.2, p.76 (1994)

Neural network reproduction of time series data with varying amplitudes and frequencies
Vol.4, No.2, p.57 (1997)

Band-Shape Analysis
Development of Band-Shape Analysis with GUI
Vol.6, No.2, (2000)

BASIC
A Program for Learning Ultraviolet and Visible Spectrum
Vol.1, No.3,4, p.187 (1993)

Development of a Set of BASIC Subroutines for CAI
Vol.2, No.1, p.17 (1994)

Development of a CAI Program Utilizing Spreadsheet Data Files and a Collection of Data
Vol.4, No.1, p.11 (1997)

Bayesian model
Noise Filtering Using FFT, Bayesian Model and Trend Model for Time Series Data
Vol.5, No.3, (1999)

Beforehand learning
Educational Effect of Microcomputer-Aided Learning on Practical Experiments in Chemistry Curriculum
Vol.2, No.2, p.108 (1994)

Benzene-monosubstituted benzene
Evaluation of Enthalpies of Benzene-Monosubstituted Benzene interactions by Semi-Empirical MO Calculations.
Their Relationship to the Experimental Enthalpies Determined by GLPC
Vol.5, No.2,

Benzodixanthene
Photochromism and Structural Chemistry of Benzo[1,2,3-kl : 4,5,6-k'l']dixanthene and its analogues
Vol.2, No.1, p.25 (1994)

Biologically active substance
Development of an Electronic Picture Book of Molecules. IV
A Volume of Biologically Active Substances
Vol.2, No.4, p.206 (1995)

Bipolar photogalvanic cell
Virtual Device Simulator of Bipolar Photogalvanic Cell
Vol.8, No.2, p.47 (2002)

Black-body radiation spectrum
A Program for Learning Ultraviolet and Visible Spectrum
Vol.1, No.3,4, p.187 (1993)

Bronsted acid site
Study of the Interaction of Ethanol with the Bronsted and Lewis Acid Sites on Metal Oxide Surfaces Using the DV-Xa Method
Vol.4 No.2, p.41 (1997)

C
C++
Development of the PC Application for Visualization of Vacant Spaces in Crystal Structures
Vol.5, No.1

Development of an Object-Oriented Program and a Special Purpose Parallel Computer for First Principles DVXa Calculations
Vol.6, No.4, p.165 (2000)

Simplified Display of Crystal Structure Using Coordination Polyhedron
Vol.7, No.1, p.47 (2001)

CAI
Development of an Electronic Picture Book of Molecules.
A Volume of Basic Organic Compounds
Vol.1, No.3,4, p.183 (1993)

A Program for Learning Ultraviolet and Visible Spectrum
Vol.1, No.3,4, p.187 (1993)

Development of a Set of BASIC Subroutines for CAI
Vol.2, No.1, p.17 (1994)

Educational Effect of Microcomputer-Aided Learning on Practical Experiments in Chemistry Curriculum
Vol.2, No.2, p.108 (1994)

Development of an Electronic Picture Book of Molecules. IV
A Volume of Biologically Active Substances
Vol.2, No.4, p.206 (1995)

Development of Software for Chemical Education Using Multimedia Techniques
Vol.3, No.2, p.73 (1996)

Development of a CAI Program Utilizing Spreadsheet Data Files and a Collection of Data
Vol.4, No.1, p.11 (1997)

Development of a Computer-Aided-Education System of Polyhedra
Vol.8, No.2, p.61 (2002)

CAI-software
A Multimedia CAI Software Available on the World Wide Web
Vol.7, No.3, p.129 (2001)

CAL
Educational Effect of Microcomputer-Aided Learning on Practical Experiments in Chemistry Curriculum
Vol.2, No.2, p.108 (1994)

CAL software
Educational Effect of Microcomputer-Aided Learning on Practical Experiments in Chemistry Curriculum
Vol.2, No.2, p.108 (1994)

Carbohydrates
1H-NMR Database of Sugars for a Carbohydrate Chemist
Vol.2, No.4, p.196 (1995)

13C-NMR Database of Sugars
Vol.3, No.3, p.121 (1996)

Catechin
How to Increase the Reactivity of Hydroxylmethylation of Tea Catechins?
-A Theoretical Study of the Introduction of a Galloyl Moiety at C-3 Position-
Vol.7, No.2, p.57 (2001)

Charge Distribution
Computational Chemical Prediction for the Position of Hydrogen-Deuterium Exchange in Hydroxyindole Derivatives
Vol.5, No.2

Development of a Neural Network Simulator for Structure-Activity Correlation of Molecules: Neco (4)
- Sweet / Bitter Classification in Perillartine Derivatives -
Vol.6, No.3, p.115 (2000)

Charge propagation
Visualization of Electrochemical Behavior under Finite Conditions using JAVA and its Application for Assisted Learning
Vol.7, No.4, p.145 (2001)

Chemical dry lab
Educational Effect of Microcomputer-Aided Learning on Practical Experiments in Chemistry Curriculum
Vol.2, No.2, p.108 (1994)

Chemical education
Development of an Electronic Picture Book of Molecules.
A Volume of Basic Organic Compounds
Vol.1, No.3,4, p.183 (1993)

Development of an Electronic Picture Book of Molecules. IV
A Volume of Biologically Active Substances
Vol.2, No.4, p.206 (1995)

Development of Software for Chemical Education Using Multimedia Techniques
Vol.3, No.2, p.73 (1996)

Chemical Experiment
Development and the Use of Chemistry Teaching Video Materials by Internet Browser
Vol.4, No.2, p.51 (1997)

Chemical instrument
Automatic Measuring System for Hydrogen Ion Concentration in Rainfall
Vol.4, No.3, (1998)

Chemical kinetics
Computer Simulation of Hydrodynamic Models for Chemical/Pharmaco-Kinetics
Vol.7, No.2, p79 (2001)

Chemical reaction
Development of 'KINE', a New Software for Time Course Analysis
Vol.5, No.4, p.173 (1999)

Chemical reaction model
The Effect of Temperature on Promotion of the Oxidation of Nitric Oxide and Propene by the Thermal Decomposition of Peroxyacetyl Nitrate(PAN) under Dark Conditions
- An Approach by Computer Simulation -
Vol.2, No.4, p.186 (1995)

Chemical structure
Encoding Chemical Structural Data for Telecommunication(1).
Investigation on the Method of Encoding
Vol.1, No.1, p.25 (1992)

Chemistry curriculum
Educational Effect of Microcomputer-Aided Learning on Practical Experiments in Chemistry Curriculum
Vol.2, No.2, p.108 (1994)

Chromatography
An Analogue Column Model for Nonlinear Isotherms: The Double-Glazed Vessel Model
Vol.6, No.4, p127 (2000)

Citric Acid
Determination of Dissociation Constants and Concentration by Microsoft Excel Solver
Vol.7, No.4, (2001)

Clipping by Cylinder
Development of a Molecular Graphics Program on Sun Workstation(2).
Vol.3, No.2, p.83 (1996)

Clipping of Space-filling model
Development of a Display and Retrieval System for the Protein Data Bank on Sun Microsystems Workstation
Vol.4, No.1, p.1 (1997)

Cluster aggregation
Simulations of Aggregation Processes of Cluster by Extended Diffusion-Limited Model(2) - Fractal Dimension of three Dimensional Cluster
Vol.3, No.3, p.129 (1996)

Cluster analysis
Discrimination of Marihuana Using Cluster Analysis
Vol.2, No.4, p.220 (1995)

Color display
A Program for Learning Ultraviolet and Visible Spectrum
Vol.1, No.3,4, p.187 (1993)

Combination of 13C- and 1H-NMR data
13C-NMR Database of Sugars
Vol.3, No.3, p.121 (1996)

Combinatorial enumeration
The Combinatorial Enumeration of Structural Isomers of Alkanes
Vol.5, No.2

Combinatorial Representation
A Combination of Various Visualization Methods of Atomic Orbitals and Representations of Their Wave Character
Vol.8, No.1, p.7 (2002)

Common Gateway Interface
CyberMol - A Molecular Graphics Program System on the World Wide Web Using the Common Gateway Interface
Vol.3, No.4, p.157(1997)

Computer aided simulation
Computer Aided Simulation of Dispersion Theory Based on Experimental Data by Zone Circulating Flow-Injection Analysis
Vol.2, No.1, p.1 (1994)

Computer-assisted learning
Two Novel Software Programmes for Assisted Learning - Oxidation Numbers and Chemical Nomenclature
Vol.6, No.3, p.105 (2000)

Computer-assisted synthesis planning system
Development of a Program for Construction of a Starting Material Library for AIPHOS
Vol.4, No.3, p.101

Computer Docking
A Study on Binding Modes of Nonsteroidal Anti-inflammatory Drugs to COX1 and COX2 as Obtained by Dock4.0
Vol.5, No.4, p147 (1999)

A Study on Docking Mode of HIV Protease and Their Inhibitors
Vol.7, No.3, p103 (2001)

Computer Drug Design
A Study on Binding Modes of Nonsteroidal Anti-inflammatory Drugs to COX1 and COX2 as Obtained by Dock4.0
Vol.5, No.4, p147 (1999)

Computer-graphics animation
Chemical Reaction Observed with "Computer Microscope"
-Reaction of Water and Carbon Dioxide-
Vol.6, No.2, (2000)

Computer program
A Program for Numerical Integration of Reaction Rate Laws on the Basis of the Runge-Kutta Method
Vol.3, No.3, p.109 (1996)

Computer simulation
An Analogue Column Model for Nonlinear Isotherms: The Double-Glazed Vessel Model
Vol.6, No.4, p127 (2000)

Computer Simulation of Hydrodynamic Models for Chemical/Pharmaco-Kinetics
Vol.7, No.2, p79 (2001)

Conformational analysis
Conformational Analysis of Hexagonal Arrangements of Phosphatidylcholine Head Groups with Bound Waters by Molecular Mechanics
Vol.1, No.1, p.39 (1992)

Conformational search
Exhaustive Parallel Conformational Search of Pyrethroids and Structure Similarity Study
Vol.4, No.4

Contour map
A Combination of Various Visualization Methods of Atomic Orbitals and Representations of Their Wave Character
Vol.8, No.1, p.7 (2002)

Coordination polyhedron
Simplified Display of Crystal Structure Using Coordination Polyhedron
Vol.7, No.1, p.47 (2001)

COX
A Study on Binding Modes of Nonsteroidal Anti-inflammatory Drugs to COX1 and COX2 as Obtained by Dock4.0
Vol.5, No.4, p147 (1999)

Cr-Mo Steel
Development of a Neural Network Simulator for Structure-Activity Correlation of Molecules: Neco (6)
- Estimation of Mechanical Properties of Cr-Mo Steel, Ni Steel, Ni-Cr Steel and Ni-Cr-Mo Steel -
Vol.7, No.4, p.179 (2001)

Cross sections
A Combination of Various Visualization Methods of Atomic Orbitals and Representations of Their Wave Character
Vol.8, No.1, p.7 (2002)

Crystal orbital
Parallel Processing on Ab Initio Crystal Orbital Calculations of One-Dimensional Polymers
Vol.4, No.2, p.73 (1997)

Parallel Processing on Ab Initio Crystal Orbital Calculations of One-Dimensional Polymers, Part 2
Vol.6, No.2, (2000)

Study on Parallel Processing of ab initio Crystal Orbital Calculations Using PC Cluster
Vol.8, No.2, p.55 (2002)

Crystal Structure
Development of the PC Application for Visualization of Vacant Spaces in Crystal Structures
Vol.5, No.1

Simplified Display of Crystal Structure Using Coordination Polyhedron
Vol.7, No.1, p.47 (2001)

Crystal structure analysis
Porting UNICS$B-7(B, the Computation System for X-ray Crystal Structure Analysis, to the Personal Computer and the Engineering Workstation
Vol.2, No.3, p.167 (1995)

Crystal Structure Model-Assembly Program Using the Monte Carlo and the R-factor Method
Vol.5, No.4, p.163 (1999)

Crystal Structure Model
Crystal Structure Model-Assembly Program Using the Monte Carlo and the R-factor Method
Vol.5, No.4, p.163 (1999)

Curve fitting
Application of U BASIC to Chemical Calculations
Vol.1, No.2, p.99 (1993)

Cyclical time series
Neural network reproduction of time series data with varying amplitudes and frequencies
Vol.4, No.2, p.57 (1997)

Cyclic voltammogram
Visualization of Electrochemical Behavior under Finite Conditions using JAVA and its Application for Assisted Learning
Vol.7, No.4, p.145 (2001)

Visualization of Electrochemical Measurements under Finite Conditions using JAVA and its Application for Assisted Learning (2)
Vol.8, No.2, p.41 (2002)

Cyclooxygenase
A Study on Binding Modes of Nonsteroidal Anti-inflammatory Drugs to COX1 and COX2 as Obtained by Dock4.0
Vol.5, No.4, p147 (1999)

13C-NMR
13C-NMR Database of Sugars
Vol.3, No.3, p.121 (1996)

D
Data Acquisition from Sensors
A Computer Program for Analysis of Heat and Sweat Transport Processing among Clothes
Vol.1, No.2, p.119 (1993)

Data analysis
Development of 'KINE', a New Software for Time Course Analysis
Vol.5, No.4, p.173 (1999)

Data Base
Development of Graphical Characteristics Data Base : GCDB
-Graphical Characteristics of Multi-Layered Cyclic Fence Graph-
Vol.5, No.4, p.137 (1999)

Data Cutting
A Computer Program for Analysis of Heat and Sweat Transport Processing among Clothes
Vol.1, No.2, p.119 (1993)

Data format
Development of A File Conversion Program for Chemical Structure Data: MOLCONV
- Transplantation of the MOLCONV program from PC-9801 for IBM personal computer -
Vol.4, No.3,

Data format for chemical structures
Development of A File Conversion Program for Chemical Structure Data: MOLCONV
Vol.3, No.1, p.9 (1996)

Data mining
Data Mining from Near-infrared Spectra of Plastics by 1/f Fluctuation
Vol.5, No.3, (1999)

Data Mining from Near-infrared Spectra of Plastics by 1/f Fluctuation(2)
- The Case of Flat Spectra of Dark Colored Plastics -
Vol.5, No.3, (1999)

Database
1H-NMR Database of Sugars for a Carbohydrate Chemist
Vol.2, No.4, p.196 (1995)

Development of an Electronic Picture Book of Molecules. IV
A Volume of Biologically Active Substances
Vol.2, No.4, p.206 (1995)

13C-NMR Database of Sugars
Vol.3, No.3, p.121 (1996)

Development of a CAI Program Utilizing Spreadsheet Data Files and a Collection of Data
Vol.4, No.1, p.11 (1997)

Development of a Quality Control System for 1H-NMR Spectral Databases
Vol.7, No.3, p.65 (2001)

Database for personal use
1H-NMR Database of Sugars for a Carbohydrate Chemist
Vol.2, No.4, p.196 (1995)

Dehydration
Study of the Interaction of Ethanol with the Bronsted and Lewis Acid Sites on Metal Oxide Surfaces Using the DV-Xa Method
Vol.4 No.2, p.41 (1997)

A Computational Chemical Investigation of the Dehydration and Dehydrogenation of Ethanol on Oxide Catalysts
Vol.4, No.3, p.89

Dehydrogenation
Study of the Interaction of Ethanol with the Bronsted and Lewis Acid Sites on Metal Oxide Surfaces Using the DV-Xa Method
Vol.4 No.2, p.41 (1997)

A Computational Chemical Investigation of the Dehydration and Dehydrogenation of Ethanol on Oxide Catalysts
Vol.4, No.3, p.89

Determinant
Development of a Program for Analyzing Solvate in Organic Elemental Analysis
Vol.6, No.4, p.137 (2000)

Diaphragm
Development of a Neural Network Simulator for Structure-Activity Correlation of Molecules: Neco (6)
- Estimation of Mechanical Properties of Cr-Mo Steel, Ni Steel, Ni-Cr Steel and Ni-Cr-Mo Steel -
Vol.7, No.4, p.179 (2001)

Differential Coefficients Analysis of Input Parameter for Neural Network
Extraction of Chemical Parameter Characterizing the Upper, Middle and Lower Stream by Principal Component Analysis and Neural Network
- The Case of Tamagawa River, Tokyo, Japan -
Vol.8, No.1, p.27 (2002)

Differential Equation
A Simple Algorithm to Solve Non-linear Equations with Multiple Roots of Two Variables Appearing in Autocatalytic Reaction in Open Systems
Vol.5, No.2

Discrimination
Discrimination of Marihuana Using Cluster Analysis
Vol.2, No.4, p.220 (1995)

Dispersion
Computer Aided Simulation of Dispersion Theory Based on Experimental Data by Zone Circulating Flow-Injection Analysis
Vol.2, No.1, p.1 (1994)

Dissociation Constant
Determination of Dissociation Constants and Concentration by Microsoft Excel Solver
Vol.7, No.4, (2001)

Distributed Memory Parallel Computer
A Novel Algorithm for Large-Scale Fock Matrix Generation with Small Local Distributed Memory Parallel Architecture.
- Relation to the Integral Cutoff -
Vol.6, No.3, (2000)

DNA
Molecular Dynamics Simulation of Biological Molecules (1) Methods
Vol.6 No.1, (2000)

Molecular Dynamics Simulation of Biological Molecules (2) Practice
Vol.7, No.1, p.1 (2001)

Double-glazed vessel model
An Analogue Column Model for Nonlinear Isotherms: The Double-Glazed Vessel Model
Vol.6, No.4, p127 (2000)

Drug design
A Study on Docking Mode of HIV Protease and Their Inhibitors
Vol.7, No.3, p103 (2001)

Dry Laboratory
A Multimedia CAI Software Available on the World Wide Web
Vol.7, No.3, p.129 (2001)

DV-Xa method
Study of the Interaction of Ethanol with the Bronsted and Lewis Acid Sites on Metal Oxide Surfaces Using the DV-Xa Method
Vol.4 No.2, p.41 (1997)

A Computational Chemical Investigation of the Dehydration and Dehydrogenation of Ethanol on Oxide Catalysts
Vol.4, No.3, p.89

E
Education
Visualization of Electrochemical Behavior under Finite Conditions using JAVA and its Application for Assisted Learning
Vol.7, No.4, p.145 (2001)

Visualization of Electrochemical Measurements under Finite Conditions using JAVA and its Application for Assisted Learning (2)
Vol.8, No.2, p.41 (2002)

Electrochemical analyzer
GetValue for Windows - Graph Digitizer Equipped with Electrochemical Analyzer
Vol.8, No.1, p.37 (2002)

Electrochemical measurements
Visualization of Electrochemical Behavior under Finite Conditions using JAVA and its Application for Assisted Learning
Vol.7, No.4, p.145 (2001)

Visualization of Electrochemical Measurements under Finite Conditions using JAVA and its Application for Assisted Learning (2)
Vol.8, No.2, p.41 (2002)

Electronic Publishing
Electronic Publishing of The Journal of Chemical Software
-Integrated Processing of On-line Publishing with Internet and Producing Printed Issues-
Vol.6, No.4, p.145 (2000)

Elemental analysis
Development of a Program for Analyzing Solvate in Organic Elemental Analysis
Vol.6, No.4, p.137 (2000)

Elongation Percentage
Development of a Neural Network Simulator for Structure-Activity Correlation of Molecules: Neco (6)
- Estimation of Mechanical Properties of Cr-Mo Steel, Ni Steel, Ni-Cr Steel and Ni-Cr-Mo Steel -
Vol.7, No.4, p.179 (2001)

Elution Induce Time
Estimation of Elution Induce Time and 80% Elution Time of Polymer-Coated Manure by a Neural Network and Ck Interpolation Scheme
- Development of a Neural Network Simulator for Structure-Activity Correlation of Molecules: Neco (5) -
Vol.7, No.3, p.115 (2001)

Embedded Atom Method
Surface Energy Calculation of Face Centered Cubic Lattice Metals
Vol.3, No.2, p.91 (1996)

Endoperoxide
Electronic State of Anthra[1,9-bc : 4,10-b'c']dichromene and Structural Analysis of Its Endoperoxide
Vol.3, No.2, p.47 (1996)

Energy band
Parallel Processing on Ab Initio Crystal Orbital Calculations of One-Dimensional Polymers
Vol.4, No.2, p.73 (1997)

Parallel Processing on Ab Initio Crystal Orbital Calculations of One-Dimensional Polymers, Part 2
Vol.6, No.2, (2000)

Study on Parallel Processing of ab initio Crystal Orbital Calculations Using PC Cluster
Vol.8, No.2, p.55 (2002)

Epicatechin
How to Increase the Reactivity of Hydroxylmethylation of Tea Catechins?
-A Theoretical Study of the Introduction of a Galloyl Moiety at C-3 Position-
Vol.7, No.2, p.57 (2001)

Epicatechin gallate
How to Increase the Reactivity of Hydroxylmethylation of Tea Catechins?
-A Theoretical Study of the Introduction of a Galloyl Moiety at C-3 Position-
Vol.7, No.2, p.57 (2001)

Epigallocatechin
How to Increase the Reactivity of Hydroxylmethylation of Tea Catechins?
-A Theoretical Study of the Introduction of a Galloyl Moiety at C-3 Position-
Vol.7, No.2, p.57 (2001)

Epigallocatechin gallate
How to Increase the Reactivity of Hydroxylmethylation of Tea Catechins?
-A Theoretical Study of the Introduction of a Galloyl Moiety at C-3 Position-
Vol.7, No.2, p.57 (2001)

Ethanol
Study of the Interaction of Ethanol with the Bronsted and Lewis Acid Sites on Metal Oxide Surfaces Using the DV-Xa Method
Vol.4 No.2, p.41 (1997)

A Computational Chemical Investigation of the Dehydration and Dehydrogenation of Ethanol on Oxide Catalysts
Vol.4, No.3, p.89

Euler Method
A Simple Algorithm to Solve Non-linear Equations with Multiple Roots of Two Variables Appearing in Autocatalytic Reaction in Open Systems
Vol.5, No.2

Excel
Determination of Dissociation Constants and Concentration by Microsoft Excel Solver
Vol.7, No.4, (2001)

Exchange Coupling
Development of MagSaki Software for Magnetic Analysis of Dinuclear High-spin Cobalt(II) Complexes in an Axially Distorted Octahedral Field
Vol.7, No.4, p.171 (2001)

Experimantal instruments
Clear Printings of Chemical Formulas and Pictograms by TEX Commands
Vol.2, No.1, p.35 (1994)

Extended DLA model
Simulations of Aggregation Processes of Cluster by Extended Diffusion-Limited Model(2) - Fractal Dimension of three Dimensional Cluster
Vol.3, No.3, p.129 (1996)

Extended Huckel method
Parallel Processing of Molecular Geometry Parameter Optimization by Extended Huckel Method
-An Attempt of Simple Fast Generation of Molecular Structure -
Vol.6, No.2, (2000)

F
F-Basic
Development of a Program Converter from FORTRAN 77 to F-BASIC
Vol.6 No.1, (2000)

FFT
Data Mining from Near-infrared Spectra of Plastics by 1/f Fluctuation
Vol.5, No.3, (1999)

Data Mining from Near-infrared Spectra of Plastics by 1/f Fluctuation(2)
- The Case of Flat Spectra of Dark Colored Plastics -
Vol.5, No.3, (1999)

Noise Filtering Using FFT, Bayesian Model and Trend Model for Time Series Data
Vol.5, No.3, (1999)

File conversion program
Development of A File Conversion Program for Chemical Structure Data: MOLCONV
Vol.3, No.1, p.9 (1996)

File converter
Development of A File Conversion Program for Chemical Structure Data: MOLCONV
- Transplantation of the MOLCONV program from PC-9801 for IBM personal computer -
Vol.4, No.3,

Development of a Program Converter from FORTRAN 77 to F-BASIC
Vol.6 No.1, (2000)

FileMaker pro
1H-NMR Database of Sugars for a Carbohydrate Chemist
Vol.2, No.4, p.196 (1995)

13C-NMR Database of Sugars
Vol.3, No.3, p.121 (1996)

Finite condition
Visualization of Electrochemical Behavior under Finite Conditions using JAVA and its Application for Assisted Learning
Vol.7, No.4, p.145 (2001)

Finite differential method
Visualization of Electrochemical Measurements under Finite Conditions using JAVA and its Application for Assisted Learning (2)
Vol.8, No.2, p.41 (2002)

First Principles DVXa Calculation
Development of an Object-Oriented Program and a Special Purpose Parallel Computer for First Principles DVXa Calculations
Vol.6, No.4, p.165 (2000)

Fluorometry
Simultaneous Fluorometric Determination of Polycyclic Aromatic Hydrocarbons by Multivariate Regression Analysis
Vol.3, No.2, p.65 (1996)

Fock Matrix Generation
A Novel Algorithm for Large-Scale Fock Matrix Generation with Small Local Distributed Memory Parallel Architecture.
- Relation to the Integral Cutoff -
Vol.6, No.3, (2000)

FORTRAN
Application of U BASIC to Chemical Calculations
Vol.1, No.2, p.99 (1993)

Fortran77
Development of a Program Converter from FORTRAN 77 to F-BASIC
Vol.6 No.1, (2000)

Four-Dimensional Atomic Orbital
A Novel Representation of the Angular Part of Atomic Orbitals
Vol.7, No.1, p.29 (2001)

Fractal Dimension
Simulations of Aggregation Processes of Cluster by Extended Diffusion-Limited Model(2) - Fractal Dimension of three Dimensional Cluster
Vol.3, No.3, p.129 (1996)

Fragmentation
Elucidation of fragmentation pathway of long chain base by molecular orbital calculation
Vol.3, No.4, p.139 (1997)

Frontier orbital
Electronic State of Anthra[1,9-bc : 4,10-b'c']dichromene and Structural Analysis of Its Endoperoxide
Vol.3, No.2, p.47 (1996)

Fullerene
Algorithm for Kekule Structure Counting in Fullerene Molecules
Vol.7, No.3, p.99 (2001)


G-M

N-Z