发布求助
文献互助 智能选刊 最新文献

Journal of Chemical Software最新文献

筛选
英文 中文
ネットワーク新時代に対応した新しい講義システムの試み（２）Javaを利用した対話的教育支援システムの構築 适应网络新时代的新的授课系统的尝试(2)利用Java构建交互式教育支援系统
Journal of Chemical Software Pub Date : 1999-03-15 DOI: 10.2477/JCHEMSOFT.5.1
桐山 雄一朗, 久雄 鈴木, 成子 尾崎, 敬幸 矢野, 望 上田
{"title":"ネットワーク新時代に対応した新しい講義システムの試み（２）Javaを利用した対話的教育支援システムの構築","authors":"桐山 雄一朗, 久雄 鈴木, 成子 尾崎, 敬幸 矢野, 望 上田","doi":"10.2477/JCHEMSOFT.5.1","DOIUrl":"https://doi.org/10.2477/JCHEMSOFT.5.1","url":null,"abstract":"Javaを利用した学生との対話性の高い学習教材を試作した．教材は，World Wide Web(WWW)上に構築したクライアントTーバシステムで提供され，様々なクライアント上で学習者がより能動的に教材に参加することが可能となった．これらの教材は対話的操作性にすぐれたインタフェースや仮想現実を搭載するなど，学習者の関心をひき，導入が容易になるよう設計されている．学生が自然法則などをより感覚的に理解できることはもちろん，WWWシステムで運用できるため，学生個人の関心や学習進度に従い，関連する学習項目間を自由に行き来するような利用が可能である．このため，文系大学における自然科学講義の補習講義に十分適したものとなっている．","PeriodicalId":205210,"journal":{"name":"Journal of Chemical Software","volume":"23 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1999-03-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"124952286","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}
引用次数: 2
Molecular dynamics simulation of unfolding of histidine-containing phosphocarrier protein in water. 含组氨酸磷载体蛋白在水中展开的分子动力学模拟。
Journal of Chemical Software Pub Date : 1998-12-15 DOI: 10.2477/JCHEMSOFT.4.127
A. Suenaga, Y. Komeiji, M. Uebayasi, T. Meguro, I. Yamato
{"title":"Molecular dynamics simulation of unfolding of histidine-containing phosphocarrier protein in water.","authors":"A. Suenaga, Y. Komeiji, M. Uebayasi, T. Meguro, I. Yamato","doi":"10.2477/JCHEMSOFT.4.127","DOIUrl":"https://doi.org/10.2477/JCHEMSOFT.4.127","url":null,"abstract":"a Department of Biological Science and Technology, Science University of Tokyo 2641 Yamazaki, Noda-shi, Chiba 278-8510, Japan *e-mail: yamato @yl05hp. tb. noda. sut. ac. jp (tel. +81-471-24-1501 ex.4405; fax. +81-471-25-1841) bSupermolecular Science Division , Electrotechnical Laboratory 1-1-4 Umezono, Tsukuba-shi, Ibaraki 305-0045, Japan c Specific Metabolism Laboratory, National Institute of Bioscience and Human Technology 1-1-3 Higashi, Tsukuba-shi, Ibaraki 305-0046, Japan","PeriodicalId":205210,"journal":{"name":"Journal of Chemical Software","volume":"45 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1998-12-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"127930791","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}
引用次数: 1
A Display of Biopolymer Using Virtual Reality Modeling Language 基于虚拟现实建模语言的生物聚合物展示
Journal of Chemical Software Pub Date : 1998-12-15 DOI: 10.2477/jchemsoft.4.157
Takeshi Uno, Haruhisa Hayashi, K. Yamana, H. Nakano
{"title":"A Display of Biopolymer Using Virtual Reality Modeling Language","authors":"Takeshi Uno, Haruhisa Hayashi, K. Yamana, H. Nakano","doi":"10.2477/jchemsoft.4.157","DOIUrl":"https://doi.org/10.2477/jchemsoft.4.157","url":null,"abstract":"タンパク質立体構造表示プログラムであるModrast-Pの機能を拡張し、立体構造のデータをVirtual Reality Modeling Language (VRML) のデータ形式に変換する機能を加えた。この機能を使うことによって、Modrast-Pで表示されている分子模型をそのままVRML形式のデータに変換することができる。これにより、これまでいくつかの問題があったコンピュータネットワーク上での分子模型のやりとりがVRMLをもちいることによって簡単かつ迅速に行えるようになると期待される。","PeriodicalId":205210,"journal":{"name":"Journal of Chemical Software","volume":"30 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1998-12-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"131999770","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}
引用次数: 0
Exhaustive Parallel Conformational Search of Pyrethroids and Structure Similarity Study 拟除虫菊酯的穷举平行构象搜索及结构相似性研究
Journal of Chemical Software Pub Date : 1998-12-15 DOI: 10.2477/JCHEMSOFT.4.143
H. Chuman, M. Karasawa, M. Sasaki, U. Nagashima
{"title":"Exhaustive Parallel Conformational Search of Pyrethroids and Structure Similarity Study","authors":"H. Chuman, M. Karasawa, M. Sasaki, U. Nagashima","doi":"10.2477/JCHEMSOFT.4.143","DOIUrl":"https://doi.org/10.2477/JCHEMSOFT.4.143","url":null,"abstract":"","PeriodicalId":205210,"journal":{"name":"Journal of Chemical Software","volume":"15 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1998-12-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"122002143","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}
引用次数: 2
Automatic Measuring System for Hydrogen Ion Concentration in Rainfall 降雨中氢离子浓度自动测量系统
Journal of Chemical Software Pub Date : 1998-09-15 DOI: 10.2477/JCHEMSOFT.4.113
Takashi Tanaka
{"title":"Automatic Measuring System for Hydrogen Ion Concentration in Rainfall","authors":"Takashi Tanaka","doi":"10.2477/JCHEMSOFT.4.113","DOIUrl":"https://doi.org/10.2477/JCHEMSOFT.4.113","url":null,"abstract":"","PeriodicalId":205210,"journal":{"name":"Journal of Chemical Software","volume":"34 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1998-09-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"133340718","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}
引用次数: 0
MOLDA for Java-A Platform-independent Molecular Modeling and Molecular Graphics Program Written in the Java Language MOLDA for Java-一个用Java语言编写的独立于平台的分子建模和分子图形程序
Journal of Chemical Software Pub Date : 1998-09-15 DOI: 10.2477/JCHEMSOFT.4.81
H. Yoshida, H. Matsuura
{"title":"MOLDA for Java-A Platform-independent Molecular Modeling and Molecular Graphics Program Written in the Java Language","authors":"H. Yoshida, H. Matsuura","doi":"10.2477/JCHEMSOFT.4.81","DOIUrl":"https://doi.org/10.2477/JCHEMSOFT.4.81","url":null,"abstract":"MOLDA for Java, a platform-independent molecular modeling and molecular graphics program written in the Java language, is presented. The molecular coordinates in MOLDA, XMol and Protein Data Bank formats can be transferred to the VRML1.0/2.0 format le and can be viewed as a molecular model by using a VRML viewer on the World Wide Web. This program can also be used as an interface to the semi-empirical molecular orbital program MOPAC and the ab initio molecular orbital program GAUSSIAN 94.","PeriodicalId":205210,"journal":{"name":"Journal of Chemical Software","volume":"401 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1998-09-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"124323329","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}
引用次数: 5
A Computational Chemical Investigation of the Dehydration and Dehydrogenation of Ethanol on Oxide Catalysts 乙醇在氧化物催化剂上脱水脱氢的计算化学研究
Journal of Chemical Software Pub Date : 1998-09-15 DOI: 10.2477/JCHEMSOFT.4.89
Yuji Shinohara, T. Nakajima, Satoshi Suzuki, S. Mishima, H. Ishikawa
{"title":"A Computational Chemical Investigation of the Dehydration and Dehydrogenation of Ethanol on Oxide Catalysts","authors":"Yuji Shinohara, T. Nakajima, Satoshi Suzuki, S. Mishima, H. Ishikawa","doi":"10.2477/JCHEMSOFT.4.89","DOIUrl":"https://doi.org/10.2477/JCHEMSOFT.4.89","url":null,"abstract":"A computational chemical investigation has been made into the mechanisms of the dehydration and the dehydrogenation of ethanol on six oxide catalysts (SiO2, TiO2, ZnO, MnO, MgO and CdO) using the DV-Xα method. Transition state models of the consecutive mechanism including ethoxide formation and the concerted mechanism proposed by Eucken and Wicke were computed.By comparing the computed results with experimental ones published in the literature, it was concluded that the consecutive mechanism is more reasonable than the concerted one. It was also concluded that the rate-determing step of the ethanol dehydration is for a β-hydrogen shift to a surface oxide ion and that the ease of theshift is a factor controlling the dehydration/ dehydrogenation selectivities of oxide catalysts.","PeriodicalId":205210,"journal":{"name":"Journal of Chemical Software","volume":"27 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1998-09-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"124337771","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}
引用次数: 9
Development of A File Conversion Program for Chemical Structure Data: MOLCONV. Traensplantation of the MOLCONV program from PC-9801 for IBM personal computer. 化学结构数据文件转换程序MOLCONV的开发。从PC-9801移植MOLCONV程序到IBM个人计算机。
Journal of Chemical Software Pub Date : 1998-09-15 DOI: 10.2477/jchemsoft.4.119
K. Hayami
{"title":"Development of A File Conversion Program for Chemical Structure Data: MOLCONV. Traensplantation of the MOLCONV program from PC-9801 for IBM personal computer.","authors":"K. Hayami","doi":"10.2477/jchemsoft.4.119","DOIUrl":"https://doi.org/10.2477/jchemsoft.4.119","url":null,"abstract":"","PeriodicalId":205210,"journal":{"name":"Journal of Chemical Software","volume":"37 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1998-09-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"132422303","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}
引用次数: 0
Development of a Program for Construction of a Starting Material Library for AIPHOS AIPHOS起始素材库构建程序的开发
Journal of Chemical Software Pub Date : 1998-09-15 DOI: 10.2477/JCHEMSOFT.4.101
K. Satoh, S. Azuma, Hiroko Satoh, K. Funatsu
{"title":"Development of a Program for Construction of a Starting Material Library for AIPHOS","authors":"K. Satoh, S. Azuma, Hiroko Satoh, K. Funatsu","doi":"10.2477/JCHEMSOFT.4.101","DOIUrl":"https://doi.org/10.2477/JCHEMSOFT.4.101","url":null,"abstract":"A program to construct a fundamental and original starting material library to embody starting material-oriented retrosynthetic analysis in the AIPHOS system has been developed. The data in the library can be registered automatically from ACD, a commercial chemical structure database, by utilizing this program. This program recognizes synthetic equivalents to categorize functional groups. The resultant library is made up of a hierarchical structure using abstract graphs. The structure, the constructing method of the starting material library for AIPHOS and the registration results of data selected at random from ACD are described. In addition, a brief outline of AIPHOS is included.","PeriodicalId":205210,"journal":{"name":"Journal of Chemical Software","volume":"4 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1998-09-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"129575080","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}
引用次数: 7
Development and the Use of Chemistry Teaching Video Materials by Internet Browser 基于Internet浏览器的化学教学视频材料的开发与使用
Journal of Chemical Software Pub Date : 1998-06-15 DOI: 10.2477/JCHEMSOFT.4.51
N. Ashida, Yoshihiro Aoyama, Tadayosi Yoshimura, B. T. Newbold
{"title":"Development and the Use of Chemistry Teaching Video Materials by Internet Browser","authors":"N. Ashida, Yoshihiro Aoyama, Tadayosi Yoshimura, B. T. Newbold","doi":"10.2477/JCHEMSOFT.4.51","DOIUrl":"https://doi.org/10.2477/JCHEMSOFT.4.51","url":null,"abstract":"We have developed multimedia type chemistry CAL software by Netscape Navigator browser.We have converted CAL software, made by ExpandBook form, into HTML form, whose theme is for physical chemistry experiments. Multimedia type chemistry CAL material with video movie really helps students to visualize chemistry operations in practical experiments. Anyone can make a teaching document by HTML language easily if one memorizes a procedure. When we tried the intranet use of CAL software in a remote place (separate room) and video movies of CAL, it produced smooth movement and was useful for the learning student.","PeriodicalId":205210,"journal":{"name":"Journal of Chemical Software","volume":"2016 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1998-06-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"128943443","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}
引用次数: 5
首页 上一页 下一页 尾页
0
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整，为了账户安全，请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
现在去查看 取消
×
提示
确定
请完成安全验证×
相关产品
×
本文献相关产品
联系我们：info@booksci.cn Book学术提供免费学术资源搜索服务，方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号：481959085
Book学术官方微信