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TITLE: Driving Forces in the Sharpless Epoxidation Reaction: A Coupled AIMD/QTAIM Study  Full Text
AUTHORS: Filipe Teixeira; Ricardo Mosquera; Andre Melo ; cristina freire ; Natalia N D S Cordeiro ;
SOURCE: INORGANIC CHEMISTRY, VOLUME: 56, ISSUE: 4, PUBLISHED: 2017
INDEXED IN: Scopus WOS Crossref
4
TITLE: A Machine Learning Approach for Hot-Spot Detection at Protein-Protein Interfaces  Full Text
AUTHORS: Rita Melo; Robert Fieldhouse; Andre Melo ; Joao D G Correia; Maria Natalia D S Cordeiro ; Zeynep H Gumus; Joaquim Costa ; Alexandre M J J Bonvin; Irina S Moreira ;
SOURCE: INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, VOLUME: 17, ISSUE: 8, PUBLISHED: 2016
INDEXED IN: Scopus WOS Crossref
5
TITLE: Roots of Acetate-Vanadium Linkage Isomerism: A QTAIM Study  Full Text
AUTHORS: Filipe Teixeira; Ricardo Mosquera; Andre Melo ; cristina freire ; Natalia N D S Cordeiro ;
SOURCE: INORGANIC CHEMISTRY, VOLUME: 55, ISSUE: 7, PUBLISHED: 2016
INDEXED IN: Scopus WOS Crossref
6
TITLE: Understanding M-ligand bonding and mer-/fac-isomerism in tris(8-hydroxyquinolinate) metallic complexes  Full Text
AUTHORS: Carlos F R A C Lima; Ricardo J S Taveira; Jose C S Costa; Ana M Fernandes; Andre Melo ; Artur M S Silva; Luis M N B F Santos;
SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 18, ISSUE: 24, PUBLISHED: 2016
INDEXED IN: Scopus WOS Crossref
7
TITLE: Diarylferrocene tweezers for cation binding
AUTHORS: Carlos F R A C Lima; Ana M Fernandes; Andre Melo ; Luis M Goncalves; Artur M S Silva; Luis M N B F Santos ;
SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 17, ISSUE: 37, PUBLISHED: 2015
INDEXED IN: Scopus WOS Crossref
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TITLE: Effect of Self-Association on the Phase Stability of Triphenylamine Derivatives
AUTHORS: Carlos F R A C Lima; Jose C S Costa; Andre Melo ; Hilario R Tavares; Artur M S Silva; Luis M N B F Santos ;
SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 119, ISSUE: 25, PUBLISHED: 2015
INDEXED IN: Scopus WOS Crossref
IN MY: ORCID
9
TITLE: Solvent Accessible Surface Area-Based Hot-Spot Detection Methods for Protein-Protein and Protein-Nucleic Acid Interfaces  Full Text
AUTHORS: Cristian R Munteanu; Antonio C Pimenta; Carlos Fernandez Lozano; Andre Melo ; Maria N D S Cordeiro ; Irina S Moreira ;
SOURCE: JOURNAL OF CHEMICAL INFORMATION AND MODELING, VOLUME: 55, ISSUE: 5, PUBLISHED: 2015
INDEXED IN: Scopus WOS Crossref
IN MY: ORCID
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TITLE: Charge Distribution in Mn( salen) Complexes  Full Text
AUTHORS: Filipe Teixeira; Ricardo Mosquera; Andre Melo ; cristina freire ; Maria Natalia D S Cordeiro ;
SOURCE: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, VOLUME: 114, ISSUE: 8, PUBLISHED: 2014
INDEXED IN: Scopus WOS Crossref
IN MY: ORCID
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