A-F
G
Gas chromatograph mass-spectrometry
Discrimination of Marihuana Using Cluster Analysis
Vol.2, No.4, p.220 (1995)

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

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

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

Geometry optimization
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)

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

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

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

Graphic software
Programming of a Graphic Software Composed of a Set of Mouse-subroutines for Chemical Education
Vol.1, No.3,4 p.177 (1993)

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

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

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

Graphics
Development of a Molecular Graphics Program on Sun Workstation.
Vol.2, No.4, p.212 (1995)

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

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

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

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

Hardness
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)

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

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

High-spin cobalt(II)
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)

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

HOMO
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)

HOMO-LUMO Energy
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)

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)

HPr
Molecular Dynamics Simulation of Unfolding of Histidine-containing Phosphocarrier Protein in Water
Vol.4 No.4, (1998)

HTML
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)

HTML type CAL Software
Development and the Use of Chemistry Teaching Video Materials by Internet Browser
Vol.4, No.2, p.51 (1997)

Human genome
Estimation of the Redundancy in Human Genome Shotgun Sequencing by a Monte-Carlo Simulation
Vol.5, No.1,

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

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

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

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

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

Hydrophobic parameter
Development of a Neural Network Simulator for Structure-activity Correlation of Molecules: Neco (7)
- Hydrophobic Parameter (logP) Prediction of Perillartine Derivatives -
Vol.8, No.1, p.17 (2002)

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

Hydroxylmethylation
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)

I
Impulsive Force
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)

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

Integral Cutoff
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)

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

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

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

Interactive education system
Convenient Tools Based on a Database Management System for Monitoring Student's Progress in a Self-Learning System Supported by WWW
Vol.7, No.4, p.153 (2001)

Interactive Specification of an Atom
Development of a Molecular Graphics Program on Sun Workstation(2).
Vol.3, No.2, p.83 (1996)

Intermolecular 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 (1999)

Internet
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)

Isosurface
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)

J
Java
MOLDA for Java - A Platform-independent Molecular Modeling and Molecular Graphics Program Written in the Java Language
Vol.4 No.3, p.81

A Trial of a New Lecture System Corresponding to the Era of Network (2)
A Utilization of Java for an Interactive Teaching Aid System
Vol.5, No.1

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)

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

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

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

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

L
Lambda phage DNA
Introduction of Physicochemical Properties Termed Stickiness and Pseudostickiness to Quantification of Macromolecule-interaction and Its Application to The Analysis of Lambda Genome DNA
Vol.2, No.2, p.96 (1994)

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

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

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

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

Lipid
Crystal Structures of Lipids by the Intermolecular Energy Calculation
Vol.3, No.1, p.27 (1996)

Local structure
Introduction of Physicochemical Properties Termed Stickiness and Pseudostickiness to Quantification of Macromolecule-interaction and Its Application to The Analysis of Lambda Genome DNA
Vol.2, No.2, p.96 (1994)

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

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

Lower Stream
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)

M
Macromolecule-interaction
Introduction of Physicochemical Properties Termed Stickiness and Pseudostickiness to Quantification of Macromolecule-interaction and Its Application to The Analysis of Lambda Genome DNA
Vol.2, No.2, p.96 (1994)

Magnetism
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)

MagSaki
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)

Matrix Diagonalization
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)

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

Maximal common subgraph
Automated Identification of Three-Dimensional Common Structural Features of Proteins
Vol.7, No.4, 161 (2001)

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

Membrane
Crystal Structures of Lipids by the Intermolecular Energy Calculation
Vol.3, No.1, p.27 (1996)

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

Microsoft Visual Basic for MS-DOS
Development of A File Conversion Program for Chemical Structure Data: MOLCONV
Vol.3, No.1, p.9 (1996)

Middle Stream
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)

Modification
A High Dimensional Optimization Approach Based on Simplex Method and Its Evaluation by Separation of Overlapped Peaks
Vol.2, No.3, p.159 (1995)

MOLCONV
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,

Molecular dynamics
Molecular Dynamics Simulation of Unfolding of Histidine-containing Phosphocarrier Protein in Water
Vol.4 No.4, (1998)

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

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)

Molecular Dynamics Simulation
Display of Molecular Dynamics Simulation Results by MXDORTO with Web Browser
- Interactive and Simple Display Program with GUI -
Vol.7, No.3, p.139 (2001)

Molecular Geometry Optimization
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)

Molecular graphics
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 a Molecular Graphics Program on Sun Workstation(2).
Vol.3, No.2, p.83 (1996)

MOLDA for Windows - A Molecular Modeling and Molecular Graphics Program Using a VRML Viewer on Personal Computers
Vol.3, No.4, p.147(1997)

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

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

MOLDA for Java - A Platform-independent Molecular Modeling and Molecular Graphics Program Written in the Java Language
Vol.4 No.3, p.81

A Display of Biopolymer Using Virtual Reality Modeling Language
Vol.4, No.4,

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

A Molecular Graphics Program by Using the OpenGL Routine
Vol.6, No.4, p.157(2000)

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

Crystal Structures of Lipids by the Intermolecular Energy Calculation
Vol.3, No.1, p.27 (1996)

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

Crystal Structures of Lipids by the Intermolecular Energy Calculation
Vol.3, No.1, p.27 (1996)

MOLDA for Windows - A Molecular Modeling and Molecular Graphics Program Using a VRML Viewer on Personal Computers
Vol.3, No.4, p.147(1997)

MOLDA for Java - A Platform-independent Molecular Modeling and Molecular Graphics Program Written in the Java Language
Vol.4 No.3, p.81

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

Molecular 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)

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

Molecular orbital method
Correlation Between the Thermodynamic Functions of Molecular Inclusion of Monohydric Alcohols into Cyclodextrin and Their Molecular Surface Areas
Vol.8, No.1, p.1 (2002)

Molecular recognition
Correlation Between the Thermodynamic Functions of Molecular Inclusion of Monohydric Alcohols into Cyclodextrin and Their Molecular Surface Areas
Vol.8, No.1, p.1 (2002)

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

Development of a Molecular Graphics Program on Sun Workstation.
Vol.2, No.4, p.212 (1995)

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

Molten globule state
Molecular Dynamics Simulation of Unfolding of Histidine-containing Phosphocarrier Protein in Water
Vol.4 No.4, (1998)

Monte-Carlo simulation
Estimation of the Redundancy in Human Genome Shotgun Sequencing by a Monte-Carlo Simulation
Vol.5, No.1,

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

MOPAC
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)

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)

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

MOPAC93
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,

Mouse subroutine
Programming of a Graphic Software Composed of a Set of Mouse-subroutines for Chemical Education
Vol.1, No.3,4 p.177 (1993)

MS-DOS
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)

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

MS Windows
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)

Multi-dimensional Ck Interpolation Scheme
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)

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

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

Multiple Roots
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

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

MXDORTO
Display of Molecular Dynamics Simulation Results by MXDORTO with Web Browser
- Interactive and Simple Display Program with GUI -
Vol.7, No.3, p.139 (2001)


N-Z