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TITLE: Probing the local structures of Choline-Glycine Electrolytes: Insights from ab initio simulations  Full Text
AUTHORS: Malaspina, Thaciana; V. Voroshylova, Iuliia ; Cordeiro, M. Natalia D. S. ; Fileti, Eudes Eterno;
PUBLISHED: 2023, SOURCE: JOURNAL OF MOLECULAR LIQUIDS, VOLUME: 390
INDEXED IN: Scopus WOS
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TITLE: SMILES-Based Bioactivity Descriptors to Model the Anti-dengue Virus Activity: A Case Study
AUTHORS: Mitra, S; Nandi, S; Halder, AK ; Cordeiro, MNDS ;
PUBLISHED: 2023, SOURCE: Challenges and Advances in Computational Chemistry and Physics, VOLUME: 33
INDEXED IN: Scopus CrossRef
IN MY: ORCID
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TITLE: Systematic Development of Vanadium Catalysts for Sustainable Epoxidation of Small Alkenes and Allylic Alcohols  Full Text
AUTHORS: José Ferraz-Caetano ; Teixeira, Filipe; Cordeiro, Maria Natalia Dias Soeiro ;
PUBLISHED: 2023, SOURCE: INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, VOLUME: 24, ISSUE: 15
INDEXED IN: Scopus WOS CrossRef: 1 Unpaywall
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TITLE: An integrated protocol to study hydrogen abstraction reactions by atomic hydrogen in flexible molecules: application to butanol isomers  Full Text
AUTHORS: Ferro Costas, D; Cordeiro, MNDS ; Fernandez Ramos, A;
PUBLISHED: 2022, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 24, ISSUE: 5
INDEXED IN: Scopus WOS
IN MY: ORCID
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TITLE: An integrated protocol to study hydrogen abstraction reactions by atomic hydrogen in flexible molecules: application to butanol isomers (vol 24, pg 3043, 2022)  Full Text
AUTHORS: Ferro Costas, D; Cordeiro, MNDS ; Fernandez Ramos, A;
PUBLISHED: 2022, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 24, ISSUE: 7
INDEXED IN: WOS
IN MY: ORCID
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