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Maria Natália Dias Soeiro Cordeiro

AuthID: R-000-CE0

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Confirmed Publications: 419

341

TITLE: Influence of step sites in the molecular mechanism of the water gas shift reaction catalyzed by copper Full Text
AUTHORS: Jose L C Fajin ; Natalia N D S Cordeiro ; Francesc Illas; Jose R B Gomes ;
PUBLISHED: 2009, SOURCE: JOURNAL OF CATALYSIS, VOLUME: 268, ISSUE: 1

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342

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

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343

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

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344

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

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345

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

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346

TITLE: Stereoselectivity of the aza-Diels-Alder reaction between cyclopentadiene and protonated phenylethylimine derived from glyoxylates. A density functional theory study Full Text
AUTHORS: Filipe Teixeira ; Jose E Rodriguez Borges ; Andre Melo ; Natalia N D S Cordeiro ;
PUBLISHED: 2009, SOURCE: CHEMICAL PHYSICS LETTERS, VOLUME: 477, ISSUE: 1-3

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347

TITLE: The Role of Preadsorbed Atomic Hydrogen in the NO Dissociation on a Zigzag Stepped Gold Surface: A DFT Study
AUTHORS: Jose L C Fajin ; Natalia N D S Cordeiro ; Jose R B Gomes ;
PUBLISHED: 2009, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY C, VOLUME: 113, ISSUE: 20

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348

TITLE: Theoretical Prediction of Antiproliferative Activity against Murine Leukemia Tumor Cell Line (L1210). 3D-Morse Descriptor and its Application in Computational Chemistry) Full Text
AUTHORS: Liane Saiz Urra; Yunierkis Perez Castillo; Maykel P Perez Gonzalez; Reinaldo Molina Ruiz; Natalia N D S Cordeiro ; Enrique E Rodriguez Borges ; Xerardo Garcia Mera;
PUBLISHED: 2009, SOURCE: QSAR & COMBINATORIAL SCIENCE, VOLUME: 28, ISSUE: 1

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349

TITLE: Theoretical study of cocaine and ecgonine methyl ester in gas phase and in aqueous solution Full Text
AUTHORS: David A Rincon; Natalia N D S Cordeiro ; Ricardo A Mosquera; Fernanda Borges ;
PUBLISHED: 2009, SOURCE: CHEMICAL PHYSICS LETTERS, VOLUME: 467, ISSUE: 4-6

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350

TITLE: 3D-MEDNEs: an alternative "in silico" technique for chemical research in toxicology. 2. Quantitative Proteome-Toxicity Relationships (QPTR) based on mass spectrum spiral entropy Full Text
AUTHORS: Maykel Cruz Monteagudo ; Humberto Gonzalez Diaz; Fernanda Borges ; Elena Rosa Dominguez; Natalia N D S Cordeiro ;
PUBLISHED: 2008, SOURCE: CHEMICAL RESEARCH IN TOXICOLOGY, VOLUME: 21, ISSUE: 3

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