341
TITLE: Structure of the interface between water and self-assembled monolayers of neutral, anionic and cationic alkane thiols
AUTHORS: Szefczyk, B ; Franco, R ; Gomes, JANF ; Cordeiro, MNDS ;
PUBLISHED: 2010, SOURCE: 9th National Meeting of Physical Chemistry in JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, VOLUME: 946, ISSUE: 1-3
INDEXED IN: Scopus WOS CrossRef Handle
IN MY: ORCID
342
TITLE: Theoretical Study of Morphine and Heroin: Conformational Study in Gas Phase and Aqueous Solution and Electron Distribution Analysis  Full Text
AUTHORS: David A Rincon; Natalia N D S Cordeiro ; Ricardo A Mosquera;
PUBLISHED: 2010, SOURCE: 35th Congress of Theoretical Chemists of Latin Expression (QUITEL/CHITEL) in INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, VOLUME: 110, ISSUE: 13
INDEXED IN: Scopus WOS CrossRef: 2
343
TITLE: Water adsorption and dissociation on the Au(321) stepped surface  Full Text
AUTHORS: Jose L C Fajin ; Natalia N D S Cordeiro ; Jose R B Gomes ;
PUBLISHED: 2010, SOURCE: 9th National Meeting of Physical Chemistry in JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, VOLUME: 946, ISSUE: 1-3
INDEXED IN: Scopus WOS CrossRef: 12
345
TITLE: Convenient QSAR model for predicting the complexation of structurally diverse compounds with beta-cyclodextrins  Full Text
AUTHORS: Alfonso Perez Garrido; Aliuska M Morales Helguera; Adela A Abellan Guillen; Natalia N D S Cordeiro ; Amalio G Garrido Escudero;
PUBLISHED: 2009, SOURCE: BIOORGANIC & MEDICINAL CHEMISTRY, VOLUME: 17, ISSUE: 2
INDEXED IN: Scopus WOS CrossRef: 21
347
TITLE: Molecular Dynamics Simulation of the Early Stages of the Synthesis of Periodic Mesoporous Silica
AUTHORS: Miguel Jorge; Jose R B Gomes ; Natalia N D S Cordeiro ; Nigel A Seaton;
PUBLISHED: 2009, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY B, VOLUME: 113, ISSUE: 3
INDEXED IN: Scopus WOS CrossRef: 39
348
TITLE: Molecular dynamics simulations of mouse ferrochelatase variants: what distorts and orientates the porphyrin?  Full Text
AUTHORS: Borys Szefczyk ; Natalia N D S Cordeiro ; Ricardo Franco ; Jose A N F Gomes ;
PUBLISHED: 2009, SOURCE: JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY, VOLUME: 14, ISSUE: 7
INDEXED IN: Scopus WOS CrossRef: 4
349
TITLE: On the Electronic Structure of Cocaine and its Metabolites
AUTHORS: David A Rincon; Maria Natalia D S Dias Soeiro Cordeiro ; Ricardo A Mosquera;
PUBLISHED: 2009, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 113, ISSUE: 50
INDEXED IN: Scopus WOS CrossRef: 8
350
TITLE: QSPR Modelling With the Topological Substructural Molecular Design Approach: beta-Cyclodextrin Complexation  Full Text
AUTHORS: Alfonso Perez Garrido; Aliuska M Morales Helguera; Natalia N D S Cordeiro ; Amalio G Garrido Escudero;
PUBLISHED: 2009, SOURCE: JOURNAL OF PHARMACEUTICAL SCIENCES, VOLUME: 98, ISSUE: 12
INDEXED IN: Scopus WOS CrossRef: 19
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