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Materials Curation®: Material Search with Multidisciplinary Use of Scientific Principles 材料管理®:材料搜索与多学科使用的科学原理
IF 0.1
Journal of Computer Chemistry-Japan Pub Date : 2020-01-01 DOI: 10.2477/jccj.2020-0004
M. Yoshitake
{"title":"Materials Curation®: Material Search with Multidisciplinary Use of Scientific Principles","authors":"M. Yoshitake","doi":"10.2477/jccj.2020-0004","DOIUrl":"https://doi.org/10.2477/jccj.2020-0004","url":null,"abstract":"","PeriodicalId":41909,"journal":{"name":"Journal of Computer Chemistry-Japan","volume":"19 1","pages":"36-42"},"PeriodicalIF":0.1,"publicationDate":"2020-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"69045668","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
An Invitation to Muon and Muonium Chemistry Research Muon和Muonium化学研究邀请函
IF 0.1
Journal of Computer Chemistry-Japan Pub Date : 2020-01-01 DOI: 10.2477/jccj.2020-0009
T. Takayanagi, Takaaki Miyazaki
{"title":"An Invitation to Muon and Muonium Chemistry Research","authors":"T. Takayanagi, Takaaki Miyazaki","doi":"10.2477/jccj.2020-0009","DOIUrl":"https://doi.org/10.2477/jccj.2020-0009","url":null,"abstract":"","PeriodicalId":41909,"journal":{"name":"Journal of Computer Chemistry-Japan","volume":"19 1","pages":"51-56"},"PeriodicalIF":0.1,"publicationDate":"2020-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"69046132","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
Precise Measurement of Anomalous Magnetic Moment of Muon μ子异常磁矩的精确测量
IF 0.1
Journal of Computer Chemistry-Japan Pub Date : 2020-01-01 DOI: 10.2477/JCCJ.2020-0025
T. Mibe
{"title":"Precise Measurement of Anomalous Magnetic Moment of Muon","authors":"T. Mibe","doi":"10.2477/JCCJ.2020-0025","DOIUrl":"https://doi.org/10.2477/JCCJ.2020-0025","url":null,"abstract":"","PeriodicalId":41909,"journal":{"name":"Journal of Computer Chemistry-Japan","volume":"19 1","pages":"64-70"},"PeriodicalIF":0.1,"publicationDate":"2020-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"69047160","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
Proton Conduction Mechanism in Proton-Conducting PVPA-xIm Composites Investigated by Theoretical Approaches 质子导电PVPA-xIm复合材料中质子传导机理的理论研究
IF 0.1
Journal of Computer Chemistry-Japan Pub Date : 2020-01-01 DOI: 10.2477/JCCJ.2020-0028
Y. Hori, Toshiya Suetake, T. Ida, M. Mizuno, Y. Shigeta
{"title":"Proton Conduction Mechanism in Proton-Conducting PVPA-xIm Composites Investigated by Theoretical Approaches","authors":"Y. Hori, Toshiya Suetake, T. Ida, M. Mizuno, Y. Shigeta","doi":"10.2477/JCCJ.2020-0028","DOIUrl":"https://doi.org/10.2477/JCCJ.2020-0028","url":null,"abstract":"","PeriodicalId":41909,"journal":{"name":"Journal of Computer Chemistry-Japan","volume":"19 1","pages":"131-132"},"PeriodicalIF":0.1,"publicationDate":"2020-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"69047215","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 Status of ABINIT-MP in 2020 2020年ABINIT-MP发展现状
IF 0.1
Journal of Computer Chemistry-Japan Pub Date : 2020-01-01 DOI: 10.2477/JCCJ.2021-0015
Y. Mochizuki, Kota Sakakura, Hiromasa Watanabe, Koji Okuwaki, Koichiro Kato, Naoki Watanabe, Yoshio Okiyama, Kaori Fukuzawa, T. Nakano
{"title":"Development Status of ABINIT-MP in 2020","authors":"Y. Mochizuki, Kota Sakakura, Hiromasa Watanabe, Koji Okuwaki, Koichiro Kato, Naoki Watanabe, Yoshio Okiyama, Kaori Fukuzawa, T. Nakano","doi":"10.2477/JCCJ.2021-0015","DOIUrl":"https://doi.org/10.2477/JCCJ.2021-0015","url":null,"abstract":"","PeriodicalId":41909,"journal":{"name":"Journal of Computer Chemistry-Japan","volume":"1 1","pages":""},"PeriodicalIF":0.1,"publicationDate":"2020-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"69048023","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
Judgment of Graphite Structure of Flake Graphite Cast Iron by Artificial Intelligence 片状石墨铸铁石墨结构的人工智能判断
IF 0.1
Journal of Computer Chemistry-Japan Pub Date : 2020-01-01 DOI: 10.2477/JCCJ.2021-0017
Mizuki Ikehara, N. Uchida, Yuuki Iwami, Masaya Kato, T. Kanno
{"title":"Judgment of Graphite Structure of Flake Graphite Cast Iron by Artificial Intelligence","authors":"Mizuki Ikehara, N. Uchida, Yuuki Iwami, Masaya Kato, T. Kanno","doi":"10.2477/JCCJ.2021-0017","DOIUrl":"https://doi.org/10.2477/JCCJ.2021-0017","url":null,"abstract":"","PeriodicalId":41909,"journal":{"name":"Journal of Computer Chemistry-Japan","volume":"19 1","pages":"167-168"},"PeriodicalIF":0.1,"publicationDate":"2020-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"69048038","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
Envisaging The Society of Computer Chemistry, Japan in the Post-COVID-19 World 展望后covid -19世界中的日本计算机化学学会
IF 0.1
Journal of Computer Chemistry-Japan Pub Date : 2020-01-01 DOI: 10.2477/jccj.foreword_19-2
M. Koyama
{"title":"Envisaging The Society of Computer Chemistry, Japan in the Post-COVID-19 World","authors":"M. Koyama","doi":"10.2477/jccj.foreword_19-2","DOIUrl":"https://doi.org/10.2477/jccj.foreword_19-2","url":null,"abstract":"","PeriodicalId":41909,"journal":{"name":"Journal of Computer Chemistry-Japan","volume":"19 1","pages":""},"PeriodicalIF":0.1,"publicationDate":"2020-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"69060618","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
Evaluation for the Quality of Flake Graphite Cast Iron and Spheroidal Graphite Cast Iron by Tapping Test with Using Artificial Intelligence 基于人工智能的片状石墨铸铁和球墨铸铁攻丝试验质量评价
IF 0.1
Journal of Computer Chemistry-Japan Pub Date : 2020-01-01 DOI: 10.7449/2019mst/2019/mst_2019_804_805
M. Shinohara, N. Uchida
{"title":"Evaluation for the Quality of Flake Graphite Cast Iron and Spheroidal Graphite Cast Iron by Tapping Test with Using Artificial Intelligence","authors":"M. Shinohara, N. Uchida","doi":"10.7449/2019mst/2019/mst_2019_804_805","DOIUrl":"https://doi.org/10.7449/2019mst/2019/mst_2019_804_805","url":null,"abstract":"","PeriodicalId":41909,"journal":{"name":"Journal of Computer Chemistry-Japan","volume":"1 1","pages":""},"PeriodicalIF":0.1,"publicationDate":"2020-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"71337929","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
Study of the Electronic State of Hydrogen by a Combination of the Muon as Pseudo Hydrogen and First-Principles Calculation 用介子作为伪氢的结合和第一性原理计算研究氢的电子态
IF 0.1
Journal of Computer Chemistry-Japan Pub Date : 2020-01-01 DOI: 10.2477/JCCJ.2020-0018
M. Hiraishi, K. Kojima, H. Okabe, A. Koda, R. Kadono, K. Ide, S. Matsuishi, H. Kumomi, T. Kamiya, H. Hosono
{"title":"Study of the Electronic State of Hydrogen by a Combination of the Muon as Pseudo Hydrogen and First-Principles Calculation","authors":"M. Hiraishi, K. Kojima, H. Okabe, A. Koda, R. Kadono, K. Ide, S. Matsuishi, H. Kumomi, T. Kamiya, H. Hosono","doi":"10.2477/JCCJ.2020-0018","DOIUrl":"https://doi.org/10.2477/JCCJ.2020-0018","url":null,"abstract":"","PeriodicalId":41909,"journal":{"name":"Journal of Computer Chemistry-Japan","volume":"19 1","pages":"106-114"},"PeriodicalIF":0.1,"publicationDate":"2020-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"69046791","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
Implementation of Picture Change Corrected Density Functional Theory Based on Infinite-Order Two-Component Method to GAMESS Program 基于无限阶双分量法的图像变化校正密度泛函理论在GAMESS程序中的实现
IF 0.1
Journal of Computer Chemistry-Japan Pub Date : 2020-01-01 DOI: 10.2477/JCCJ.2021-0002
Chinami Takashima, Junji Seino, H. Nakai
{"title":"Implementation of Picture Change Corrected Density Functional Theory Based on Infinite-Order Two-Component Method to GAMESS Program","authors":"Chinami Takashima, Junji Seino, H. Nakai","doi":"10.2477/JCCJ.2021-0002","DOIUrl":"https://doi.org/10.2477/JCCJ.2021-0002","url":null,"abstract":"We implemented the picture change correction method for two-electron Coulomb interaction and density operator, which was based on the in fi nite-order two-component method with the local unitary transformation, to the GAMESS program. Numerical assessments for molecules containing heavy element con fi rmed the accuracies and e ffi ciencies of the implementation. Furthermore, the comparison with several types of treatments indicated that whole picture change corrections of one- and two-electron operators and the density operator are necessary for accurate two-component density functional theory calculations.","PeriodicalId":41909,"journal":{"name":"Journal of Computer Chemistry-Japan","volume":"1 1","pages":""},"PeriodicalIF":0.1,"publicationDate":"2020-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"69047285","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
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