{"title":"pyMCD:通过多坐标驱动方法搜索过渡状态的Python包","authors":"Kyunghoon Lee, Jun Hyeong Kim, Woo Youn Kim","doi":"10.2139/ssrn.4400816","DOIUrl":null,"url":null,"abstract":"","PeriodicalId":10679,"journal":{"name":"Comput. Phys. Commun.","volume":"194 1","pages":"108831"},"PeriodicalIF":0.0000,"publicationDate":"2023-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"pyMCD: Python package for searching transition states via the multicoordinate driven method\",\"authors\":\"Kyunghoon Lee, Jun Hyeong Kim, Woo Youn Kim\",\"doi\":\"10.2139/ssrn.4400816\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"\",\"PeriodicalId\":10679,\"journal\":{\"name\":\"Comput. Phys. Commun.\",\"volume\":\"194 1\",\"pages\":\"108831\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2023-10-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Comput. Phys. Commun.\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.2139/ssrn.4400816\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Comput. Phys. Commun.","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.2139/ssrn.4400816","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}