{"title":"Clear Printings of Chemical Formulas and Pictograms by TEX Commands","authors":"M. Iwata, Toshihisa Yoshida","doi":"10.2477/JCHEMSOFT.2.35","DOIUrl":"https://doi.org/10.2477/JCHEMSOFT.2.35","url":null,"abstract":"文書組版処理ソフトTEX上で、化学構造式や実験装置などの図表を簡単に出力するためのマクロコマンドの開発を行った。開発したマクロコマンドは、化合物の構造式、実験器具図、その他 (周期表、ボーアモデルによる電子配置の模式図、防災ラベル) を出力するコマンドである。作成している文書中に、マクロコマンドを記述するだけで構造式などの図を出力できた。","PeriodicalId":205210,"journal":{"name":"Journal of Chemical Software","volume":"2 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1994-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"131021533","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Programming of a Graphic Software Composed of a Set of Mouse-subroutines for Chemical Education","authors":"T. Yoshino","doi":"10.2477/JCHEMSOFT.1.177","DOIUrl":"https://doi.org/10.2477/JCHEMSOFT.1.177","url":null,"abstract":"N88BASIC言語で作成したプログラムの操作環境を改善するために全操作のマウス化を試みた。まず、マウスサブルーチンプログラムから成り、グラフィックソフト一般に応用可能な作画用モデルプログラム (MSGRAPH.BAS) を作成した。このプログラムは独立した作画ソフトとしても使用できるが、ここに組み込まれた種々のサブルーチンプログラムは簡単に移植が可能なので化学教育用ソフト等を開発する場合に有用である。","PeriodicalId":205210,"journal":{"name":"Journal of Chemical Software","volume":"26 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1993-11-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"114184922","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"A Program for Learning Ultraviolet and Visible Spectrum Niigata Women's Junior College","authors":"Y. Honma","doi":"10.2477/jchemsoft.1.187","DOIUrl":"https://doi.org/10.2477/jchemsoft.1.187","url":null,"abstract":"","PeriodicalId":205210,"journal":{"name":"Journal of Chemical Software","volume":"115 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1993-11-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"133263996","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Development of an Electronic Picture Book of Molecules. A Volume of Basic Organic Compounds","authors":"T. Shishibori, K. Kurahasi","doi":"10.2477/JCHEMSOFT.1.183","DOIUrl":"https://doi.org/10.2477/JCHEMSOFT.1.183","url":null,"abstract":"","PeriodicalId":205210,"journal":{"name":"Journal of Chemical Software","volume":"231 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1993-11-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"132349154","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
K. Hiruta, S. Tokita, Y. Kogo, H. Kihara, K. Nishimoto
{"title":"Evaluation of Two Center Electron Repulsion Integral New-γ for the PPP Molecular Orbital Calculation of p-Band of cata-Condensed Polycyclic Aromatic Hydrocarbons","authors":"K. Hiruta, S. Tokita, Y. Kogo, H. Kihara, K. Nishimoto","doi":"10.2477/JCHEMSOFT.1.157","DOIUrl":"https://doi.org/10.2477/JCHEMSOFT.1.157","url":null,"abstract":"","PeriodicalId":205210,"journal":{"name":"Journal of Chemical Software","volume":"11 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1993-11-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"120935736","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Simulation Programs of Chemical Reaction Model Represented as Reaction Formula using Microcomputer","authors":"I. Iwamoto, Hisao Morita, Takahiro Yamanoto, K. Hiruta, S. Otuka, K. Sakamoto","doi":"10.2477/JCHEMSOFT.1.151","DOIUrl":"https://doi.org/10.2477/JCHEMSOFT.1.151","url":null,"abstract":"化学反応式を入力することによりその反応過程をシミュレートできるプログラムをパーソナルコンピュータ上で開発した。本プログラムは反応モデルをコンパイルして計算プログラムとリンクしておくことにより計算時間を短縮した。また、メニュー画面を用いることによりプログラムが容易に操作できるようにした。","PeriodicalId":205210,"journal":{"name":"Journal of Chemical Software","volume":"44 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1993-11-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"116414585","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Simulations of Aggregation Processes of Cluster by Extended Diffusion-Limited Model","authors":"H. Miyata, Toshinori Nakatani","doi":"10.2477/JCHEMSOFT.1.139","DOIUrl":"https://doi.org/10.2477/JCHEMSOFT.1.139","url":null,"abstract":"クラスター生成過程を拡張DLA (Diffusion Limited Aggregation) モデルによって検討した.拡散律速下でのクラスター成長過程を3次元に拡張し, クラスターの異方性, および粒子間引力の影響を考慮した.2次元・3次元モデルあるいは引力補正項の有無によらず5%以上の被覆率で4～8個の粒子からなるクラスターが最大を示した.これらのことから, 粒子の凝集・クラスター生成の機構について検討した.","PeriodicalId":205210,"journal":{"name":"Journal of Chemical Software","volume":"9 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1993-11-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"132526035","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Development and Application of a Program for Analyzing Orientation Relationships on Electron Diffraction Patterns","authors":"A. Yamamoto, H. Tsubakino","doi":"10.2477/jchemsoft.1.165","DOIUrl":"https://doi.org/10.2477/jchemsoft.1.165","url":null,"abstract":"複数の相からなる材料の相間の結晶学的方位関係を, 電子回折図形をもとにして、パーソナルコンピューターを用いて解析するプログラムを作成した.このプログラムは, 14種類の結晶格子 (Bravais格子) の電子回折図形およびステレオ投影図の描画が可能であり, これらの図形を重ね合わせることにより, 相間の方位関係を示すものである.これを用いて実際に方位解析を行った例についても述べる.","PeriodicalId":205210,"journal":{"name":"Journal of Chemical Software","volume":"12 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1993-11-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"125077359","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Application of U BASIC to chemical calculations","authors":"Y. Narusawa, Y. Miyamae","doi":"10.2477/JCHEMSOFT.1.99","DOIUrl":"https://doi.org/10.2477/JCHEMSOFT.1.99","url":null,"abstract":"UBASICにより水の密度データ及びこれを変形して複雑にしたデータを用い、線形の最小2乗近似計算を行い、BASIC及びFORTRANの結果と比較検討した。その結果、N88BASICでは12次元までしか計算できず、またMS-FORTRANでは50次元まで計算できたが、精度的に問題があった。この点はSun-FORTRANで4倍精度の計算によって検討した。","PeriodicalId":205210,"journal":{"name":"Journal of Chemical Software","volume":"36 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1993-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"132560939","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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