Katrin Blondal, K. Sargsyan, D. Bross, E. Hermes, H. Najm, Judit Z�dor, C. Goldsmith
{"title":"Including anharmonicity in adsorbate partition functions and how it affects theoretical parameter estimates for desorption of methanol from a Cu(111) surface.","authors":"Katrin Blondal, K. Sargsyan, D. Bross, E. Hermes, H. Najm, Judit Z�dor, C. Goldsmith","doi":"10.2172/1831569","DOIUrl":"https://doi.org/10.2172/1831569","url":null,"abstract":"","PeriodicalId":197941,"journal":{"name":"Proposed for presentation at the 2020 Virtual AIChE Annual Meeting held November 16-20, 2020 in San Francisco, CA.","volume":"57 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2020-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"126137369","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":"Automatic mechanism generation using RMG linear scaling relationships and sensitivity analyses applied to the catalytic partial oxidation of methane.","authors":"Emily J. Mazeau, Katrin Blondal, Richard D. West","doi":"10.2172/1831014","DOIUrl":"https://doi.org/10.2172/1831014","url":null,"abstract":"","PeriodicalId":197941,"journal":{"name":"Proposed for presentation at the 2020 Virtual AIChE Annual Meeting held November 16-20, 2020 in San Francisco, CA.","volume":"39 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2020-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"124031973","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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