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Maria Natália Dias Soeiro Cordeiro

AuthID: R-000-CE0

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Confirmed Publications: 440

341

TITLE: A Critical Assessment of Methods for the Intrinsic Analysis of Liquid Interfaces. 1. Surface Site Distributions (vol 114, pg 11169, 2010)
AUTHORS: Miguel Jorge; Pal Jedlovszky; Natalia, M; Cordeiro, DS ;
PUBLISHED: 2010, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY C, VOLUME: 114, ISSUE: 47

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342

TITLE: A topological substructural molecular design approach for predicting mutagenesis end-points of alpha, beta-unsaturated carbonyl compounds Full Text
AUTHORS: Alfonso Perez Garrido; Aliuska M Morales Helguera; Gabriel C Caravaca Lopez; Natalia N D S Cordeiro ; Amalio G Garrido Escudero;
PUBLISHED: 2010, SOURCE: TOXICOLOGY, VOLUME: 268, ISSUE: 1-2

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343

TITLE: Calibration sets and the accuracy of vibrational scaling factors: A case study with the X3LYP hybrid functional Full Text
AUTHORS: Filipe Teixeira ; Andre Melo ; Natalia N D S Cordeiro ;
PUBLISHED: 2010, SOURCE: JOURNAL OF CHEMICAL PHYSICS, VOLUME: 133, ISSUE: 11

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344

TITLE: Cluster and periodic DFT calculations of adsorption of hydroxyl on the Au(h k l) surfaces Full Text
AUTHORS: Ana M Pessoa ; Jose L C Fajin ; Jose R B Gomes ; Natalia N D S Cordeiro ;
PUBLISHED: 2010, SOURCE: 9th National Meeting of Physical Chemistry in JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, VOLUME: 946, ISSUE: 1-3

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345

TITLE: Critical Assessment of Methods for the Intrinsic Analysis of Liquid Interfaces: 2. Density Profiles
AUTHORS: Miguel Jorge; Gyoergy Hantal; Pal Jedlovszky; Natalia N D S Cordeiro ;
PUBLISHED: 2010, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY C, VOLUME: 114, ISSUE: 43

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346

TITLE: Descriptors controlling the catalytic activity of metallic surfaces toward water splitting Full Text
AUTHORS: Jose L C Fajin ; Natalia N D S Cordeiro ; Francesc Illas; Jose R B Gomes ;
PUBLISHED: 2010, SOURCE: JOURNAL OF CATALYSIS, VOLUME: 276, ISSUE: 1

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347

TITLE: Design of carbocyclic nucleosides with antineoplastic activity Full Text
AUTHORS: Aliuska M Morales Helguera; Natalia N D S Cordeiro ; Rodriguez Borges, JE ; Xerardo Garcia Mera; Maykel P Perez Gonzalez; Yunierkis P Perez Castillo;
PUBLISHED: 2010, SOURCE: PURINERGIC SIGNALLING, VOLUME: 6, ISSUE: 1

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348

TITLE: Design, Synthesis, and Evaluation of Antineoplastic Activity of Novel Carbocyclic Nucleosides Full Text
AUTHORS: Aliuska M Helguera; Rodriguez Borges, JE ; Olga Caamano; Xerardo Garcia Mera; Maykel P Perez Gonzalez; Natalia N D S Cordeiro ;
PUBLISHED: 2010, SOURCE: MOLECULAR INFORMATICS, VOLUME: 29, ISSUE: 3

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349

TITLE: Desirability-based simultaneous analysis of binding and relative efficacy profiles of A(3) adenosine receptor agonists Full Text
AUTHORS: Cruz Monteagudo, M; Cordeiro, MNDS ; Teijeira, M; Gonzalez, MP; Borges, F ;
PUBLISHED: 2010, SOURCE: PURINERGIC SIGNALLING, VOLUME: 6, ISSUE: 1

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350

TITLE: DFT study on the reaction of NO oxidation on a stepped gold surface Full Text
AUTHORS: Jose L C Fajin ; Natalia N D S Cordeiro ; Jose R B Gomes ;
PUBLISHED: 2010, SOURCE: APPLIED CATALYSIS A-GENERAL, VOLUME: 379, ISSUE: 1-2

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