{"title":"Tautomerism and Density Functional Theory","authors":"Z. Safi","doi":"10.1201/B22471-13","DOIUrl":"https://doi.org/10.1201/B22471-13","url":null,"abstract":"","PeriodicalId":437886,"journal":{"name":"Conceptual Density Functional Theory and Its Application in the Chemical Domain","volume":"209 ","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2018-06-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"113995251","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":"Phase Description of Reactive Systems","authors":"R. Nalewajski","doi":"10.1201/B22471-8","DOIUrl":"https://doi.org/10.1201/B22471-8","url":null,"abstract":"","PeriodicalId":437886,"journal":{"name":"Conceptual Density Functional Theory and Its Application in the Chemical Domain","volume":"145 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2018-06-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"124645400","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":"Grand-Canonical Interpolation Models","authors":"R. Miranda‐Quintana, P. Ayers","doi":"10.1201/B22471-4","DOIUrl":"https://doi.org/10.1201/B22471-4","url":null,"abstract":"","PeriodicalId":437886,"journal":{"name":"Conceptual Density Functional Theory and Its Application in the Chemical Domain","volume":"39 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2018-06-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"125240422","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":"Chemical Equalization Principles and Their New Applications","authors":"S. Kaya, C. Kaya, I. Obot","doi":"10.1201/B22471-5","DOIUrl":"https://doi.org/10.1201/B22471-5","url":null,"abstract":"","PeriodicalId":437886,"journal":{"name":"Conceptual Density Functional Theory and Its Application in the Chemical Domain","volume":"33 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2018-06-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"124067905","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":"Ionization Energies of Atoms of 103 Elements of Periodic Table Using Semiemprical and DFT Methods","authors":"N. Islam, S. Kaya, D. C. Ghosh","doi":"10.1201/B22471-14","DOIUrl":"https://doi.org/10.1201/B22471-14","url":null,"abstract":"","PeriodicalId":437886,"journal":{"name":"Conceptual Density Functional Theory and Its Application in the Chemical Domain","volume":"113 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2018-06-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"128512382","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":"The Conceptual Density Functional Theory: Origin and Development to Study Atomic and Molecular Hardness","authors":"N. Islam","doi":"10.1201/B22471-1","DOIUrl":"https://doi.org/10.1201/B22471-1","url":null,"abstract":"","PeriodicalId":437886,"journal":{"name":"Conceptual Density Functional Theory and Its Application in the Chemical Domain","volume":"32 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2018-06-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"125483127","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":"Inhibition of Metallic Corrosion by N, O, S Donor Schiff Base Molecules","authors":"S. Saha, P. Banerjee","doi":"10.1201/B22471-6","DOIUrl":"https://doi.org/10.1201/B22471-6","url":null,"abstract":"","PeriodicalId":437886,"journal":{"name":"Conceptual Density Functional Theory and Its Application in the Chemical Domain","volume":"29 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2018-06-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"114270745","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":"Computing the Unconstrained Local Hardness","authors":"Rogelio Cuevas-Saavedra, N. Rabi, P. Ayers","doi":"10.1201/B22471-3","DOIUrl":"https://doi.org/10.1201/B22471-3","url":null,"abstract":"","PeriodicalId":437886,"journal":{"name":"Conceptual Density Functional Theory and Its Application in the Chemical Domain","volume":"28 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2018-06-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"124969768","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":"Molecular Similarity from Manifold Learning on D2-Property Images","authors":"Farnaz Heidar-Zadeh, P. Ayers","doi":"10.1201/B22471-15","DOIUrl":"https://doi.org/10.1201/B22471-15","url":null,"abstract":"","PeriodicalId":437886,"journal":{"name":"Conceptual Density Functional Theory and Its Application in the Chemical Domain","volume":"42 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2018-06-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"132951294","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":"Conceptual Density Functional Theory and its Application to Corrosion Inhibition Studies","authors":"I. Obot, S. Kaya, C. Kaya","doi":"10.1201/B22471-7","DOIUrl":"https://doi.org/10.1201/B22471-7","url":null,"abstract":"","PeriodicalId":437886,"journal":{"name":"Conceptual Density Functional Theory and Its Application in the Chemical Domain","volume":"8 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2018-06-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"123944090","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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