Quimat - Cheminformatics and Materials (Quimat)
AuthID: I-000-BCW
Publications Actions
Publications at Authenticus Institutional Profile
An Authenticus institution (group) is an organization which consists of a set of researchers (institutional/group team). The set of researchers depends on the organizational structure of the institution per year and can be set at the institution profile, under ‘Researchers’ interface. Based on the institutional team we produce listings of publications, statistics and institutional reports.
Publications displayed at an Authenticus institutional profile depend on two parameters:
- Researchers team associated with the institution per year.
- Publications source type.
We define 3 types of publication sources:
- Validated by team members - includes all publications validated by team members. Requires the definition of the institutional team.
- All published by team members - includes all publications validated by the institution team members plus all not-validated (only identified) publications. Requires the definition of the institutional team.
- Affiliation Based - includes publications that have the institution/group in the publication affiliation. Does not require institutional team, but at the same time does not guarantee that all publications will be listed.
External
Internal
No data about last update.
Rules:
This actions updates publications citations of every team member.
Only validated by team members publications are included.
Only the current year team is included in this action.>
The action is executed in the background, thus the results are NOT immediate.
This actions can be executed only once a month!
Only validated by team members publications are included.
Only the current year team is included in this action.>
The action is executed in the background, thus the results are NOT immediate.
This actions can be executed only once a month!
No data about last update.
Rules:
This actions updates all pre print publications of the group/institution.
Only validated by current year team members publications are included.
The action is executed in the background, thus the results are NOT immediate.
This actions can be executed only once a day!
Only validated by current year team members publications are included.
The action is executed in the background, thus the results are NOT immediate.
This actions can be executed only once a day!
Publications Count: 608
15 Team MembersFilters -> Year: 2025
521
TITLE: Adsorption of atomic and molecular oxygen on the au(321) surface: DFT study
AUTHORS: Jose L C Fajin ; Natalia N D S Cordeiro ; Jose R B Gomes ;
PUBLISHED: 2007, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY C, VOLUME: 111, ISSUE: 46, PAGES: 17311-17321
AUTHORS: Jose L C Fajin ; Natalia N D S Cordeiro ; Jose R B Gomes ;
PUBLISHED: 2007, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY C, VOLUME: 111, ISSUE: 46, PAGES: 17311-17321
522
TITLE: Adsorption-penetration studies of glucose oxidase into phospholipid monolayers at the 1,2-Dichloroethane/Water interface Full Text
AUTHORS: Helder A Santos; Elisabete S Ferreira ; Elisa J Pereira; Carlos M Pereira ; Kyoesti Kontturi; Fernando Silva ;
PUBLISHED: 2007, SOURCE: CHEMPHYSCHEM, VOLUME: 8, ISSUE: 10, PAGES: 1540-1547
AUTHORS: Helder A Santos; Elisabete S Ferreira ; Elisa J Pereira; Carlos M Pereira ; Kyoesti Kontturi; Fernando Silva ;
PUBLISHED: 2007, SOURCE: CHEMPHYSCHEM, VOLUME: 8, ISSUE: 10, PAGES: 1540-1547
523
TITLE: Application of the replacement method as novel variable selection in QSPR. 2. Soil sorption coefficients Full Text
AUTHORS: Pablo R Duchowicz; Maykel Perez Gonzalez; Aliuska Morales Helguera; Maria Natalia Dias Soeiro Cordeiro ; Eduardo A Castro;
PUBLISHED: 2007, SOURCE: CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS, VOLUME: 88, ISSUE: 2, PAGES: 197-203
AUTHORS: Pablo R Duchowicz; Maykel Perez Gonzalez; Aliuska Morales Helguera; Maria Natalia Dias Soeiro Cordeiro ; Eduardo A Castro;
PUBLISHED: 2007, SOURCE: CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS, VOLUME: 88, ISSUE: 2, PAGES: 197-203
524
TITLE: Computational modeling tools for the design of potent antimalarial bisbenzamidines: Overcoming the antimalarial potential of pentamidine Full Text
AUTHORS: Maykel Cruz Monteagudo ; Fernanda Borges ; Maykel P Perez Gonzalez; Natalia N D S Dias Soeiro Cordeiro ;
PUBLISHED: 2007, SOURCE: BIOORGANIC & MEDICINAL CHEMISTRY, VOLUME: 15, ISSUE: 15, PAGES: 5322-5339
AUTHORS: Maykel Cruz Monteagudo ; Fernanda Borges ; Maykel P Perez Gonzalez; Natalia N D S Dias Soeiro Cordeiro ;
PUBLISHED: 2007, SOURCE: BIOORGANIC & MEDICINAL CHEMISTRY, VOLUME: 15, ISSUE: 15, PAGES: 5322-5339
525
TITLE: Evaluation of the lipophilic properties of opiolds, amphetamine-like drugs, and metabolites through electrochemical studies at the interface between two immiscible solutions
AUTHORS: Gulaboski, R; Cordeiro, MNDS ; Milhazes, N ; Garrido, J ; Borges, F ; Jorge, M; Pereira, CM ; Bogeski, I; Morales, AH; Naumoski, B; Silva, AF ;
PUBLISHED: 2007, SOURCE: ANALYTICAL BIOCHEMISTRY, VOLUME: 361, ISSUE: 2, PAGES: 236-243
AUTHORS: Gulaboski, R; Cordeiro, MNDS ; Milhazes, N ; Garrido, J ; Borges, F ; Jorge, M; Pereira, CM ; Bogeski, I; Morales, AH; Naumoski, B; Silva, AF ;
PUBLISHED: 2007, SOURCE: ANALYTICAL BIOCHEMISTRY, VOLUME: 361, ISSUE: 2, PAGES: 236-243
526
TITLE: Intrinsic structure and dynamics of the water/nitrobenzene interface
AUTHORS: Miguel Jorge; Natalia N D S Cordeiro ;
PUBLISHED: 2007, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY C, VOLUME: 111, ISSUE: 47, PAGES: 17612-17626
AUTHORS: Miguel Jorge; Natalia N D S Cordeiro ;
PUBLISHED: 2007, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY C, VOLUME: 111, ISSUE: 47, PAGES: 17612-17626
527
TITLE: Molecular simulation of silica/surfactant self-assembly in the synthesis of periodic mesoporous silicas Full Text
AUTHORS: Miguel Jorge; Jos R B Gomes ; Natalia, M ; Cordeiro, DS; Nigel A Seaton;
PUBLISHED: 2007, SOURCE: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, VOLUME: 129, ISSUE: 50, PAGES: 15414-+
AUTHORS: Miguel Jorge; Jos R B Gomes ; Natalia, M ; Cordeiro, DS; Nigel A Seaton;
PUBLISHED: 2007, SOURCE: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, VOLUME: 129, ISSUE: 50, PAGES: 15414-+
528
TITLE: Probing the anticancer activity of nucleoside analogues: A QSAR model approach using an internally consistent training set Full Text
AUTHORS: Aliuska Morales Helguera; Rodriguez Borges, JE ; Xerardo Garcia Mera; Franco Fernandez; Natalia, M ; Cordeiro, DS;
PUBLISHED: 2007, SOURCE: JOURNAL OF MEDICINAL CHEMISTRY, VOLUME: 50, ISSUE: 7, PAGES: 1537-1545
AUTHORS: Aliuska Morales Helguera; Rodriguez Borges, JE ; Xerardo Garcia Mera; Franco Fernandez; Natalia, M ; Cordeiro, DS;
PUBLISHED: 2007, SOURCE: JOURNAL OF MEDICINAL CHEMISTRY, VOLUME: 50, ISSUE: 7, PAGES: 1537-1545
529
TITLE: QTAIM electron density study of natural chalcones Full Text
AUTHORS: Maria J G Gonzalez Moa; Marcos Mandado; Natalia N D S Cordeiro ; Ricardo A Mosquera;
PUBLISHED: 2007, SOURCE: CHEMICAL PHYSICS LETTERS, VOLUME: 446, ISSUE: 1-3, PAGES: 1-7
AUTHORS: Maria J G Gonzalez Moa; Marcos Mandado; Natalia N D S Cordeiro ; Ricardo A Mosquera;
PUBLISHED: 2007, SOURCE: CHEMICAL PHYSICS LETTERS, VOLUME: 446, ISSUE: 1-3, PAGES: 1-7
530
TITLE: Quantitative structure carcinogenicity relationship for detecting structural alerts in nitroso-compounds Full Text
AUTHORS: Aliuska Morales Helguera; Maykel Perez Gonzalez; Maria Natalia D S Cordeiro ; Miguel Angel Cabrera Perez;
PUBLISHED: 2007, SOURCE: TOXICOLOGY AND APPLIED PHARMACOLOGY, VOLUME: 221, ISSUE: 2, PAGES: 189-202
AUTHORS: Aliuska Morales Helguera; Maykel Perez Gonzalez; Maria Natalia D S Cordeiro ; Miguel Angel Cabrera Perez;
PUBLISHED: 2007, SOURCE: TOXICOLOGY AND APPLIED PHARMACOLOGY, VOLUME: 221, ISSUE: 2, PAGES: 189-202
531
TITLE: Rotational structure of small He-4 clusters seeded with HF, HCl, and HBr molecules
AUTHORS: Jordan A Ramilowski; Aleksandra A Mikosz; David Farrelly; Jos Luis C Cagide Fajin ; Berta Fernandez;
PUBLISHED: 2007, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 111, ISSUE: 49, PAGES: 12275-12288
AUTHORS: Jordan A Ramilowski; Aleksandra A Mikosz; David Farrelly; Jos Luis C Cagide Fajin ; Berta Fernandez;
PUBLISHED: 2007, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 111, ISSUE: 49, PAGES: 12275-12288
532
TITLE: Structural divergence and adaptive evolution in mammalian cytochromes P4502C Full Text
AUTHORS: Rute R da Fonseca; Agostinho Antunes ; Andre Melo ; Maria Joao Ramos ;
PUBLISHED: 2007, SOURCE: GENE, VOLUME: 387, ISSUE: 1-2, PAGES: 58-66
AUTHORS: Rute R da Fonseca; Agostinho Antunes ; Andre Melo ; Maria Joao Ramos ;
PUBLISHED: 2007, SOURCE: GENE, VOLUME: 387, ISSUE: 1-2, PAGES: 58-66
533
TITLE: Structural finding of R/S-3,4-dihydro-2,2-dimethyl-6-halo-4-(substituted phenylaminocarbonylamino)-2H-1-benzopyrans as selective pancreatic β-cells KATP-pβ channel openers Full Text
AUTHORS: Sk M Alam; Samanta, S; Halder, AK ; Basu, S; Jha, T;
PUBLISHED: 2007, SOURCE: Canadian Journal of Chemistry, VOLUME: 85, ISSUE: 12, PAGES: 1053-1063
AUTHORS: Sk M Alam; Samanta, S; Halder, AK ; Basu, S; Jha, T;
PUBLISHED: 2007, SOURCE: Canadian Journal of Chemistry, VOLUME: 85, ISSUE: 12, PAGES: 1053-1063
534
TITLE: The fluorobenzene-argon S-1 excited-state intermolecular potential energy surface
AUTHORS: Jose Luis Cagide Fajin ; Silvia Bouzon Capelo; Berta Fernandez; Peter M Felker;
PUBLISHED: 2007, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 111, ISSUE: 32, PAGES: 7876-7881
AUTHORS: Jose Luis Cagide Fajin ; Silvia Bouzon Capelo; Berta Fernandez; Peter M Felker;
PUBLISHED: 2007, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 111, ISSUE: 32, PAGES: 7876-7881
INDEXED IN: 
Scopus 
WOS
Scopus WOS535
TITLE: Voltammetric insights in the transfer of ionizable drugs across biomimetic membranes - Recent achievements
AUTHORS: Rubin Gulaboski; Fernanda Borges ; Carlos M Pereira ; Natalia N D S Cordeiro ; Jorge Garrido ; Fernando F Silva ;
PUBLISHED: 2007, SOURCE: COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING, VOLUME: 10, ISSUE: 7, PAGES: 514-526
AUTHORS: Rubin Gulaboski; Fernanda Borges ; Carlos M Pereira ; Natalia N D S Cordeiro ; Jorge Garrido ; Fernando F Silva ;
PUBLISHED: 2007, SOURCE: COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING, VOLUME: 10, ISSUE: 7, PAGES: 514-526
536
TITLE: The p -Difluorobenzene−Argon S 1 Excited State Intermolecular Potential Energy Surface
AUTHORS: José Luis Cagide Fajín ; Berta Fernández; Peter M Felker;
PUBLISHED: 2006, SOURCE: J. Phys. Chem. A - The Journal of Physical Chemistry A, VOLUME: 110, ISSUE: 49, PAGES: 13259-13263
AUTHORS: José Luis Cagide Fajín ; Berta Fernández; Peter M Felker;
PUBLISHED: 2006, SOURCE: J. Phys. Chem. A - The Journal of Physical Chemistry A, VOLUME: 110, ISSUE: 49, PAGES: 13259-13263
537
TITLE: A comparative study of the anion transfer kinetics across a water/nitrobenzene interface by means of electrochemical impedance spectroscopy and square-wave voltammetry at thin organic film-modified electrodes Full Text
AUTHORS: Gulaboski, R; Mirceski, V; Pereira, CM ; Cordeiro, MNDS ; Silva, AF ; Quentel, F; L'Her, M; Lovric, M;
PUBLISHED: 2006, SOURCE: LANGMUIR, VOLUME: 22, ISSUE: 7, PAGES: 3404-3412
AUTHORS: Gulaboski, R; Mirceski, V; Pereira, CM ; Cordeiro, MNDS ; Silva, AF ; Quentel, F; L'Her, M; Lovric, M;
PUBLISHED: 2006, SOURCE: LANGMUIR, VOLUME: 22, ISSUE: 7, PAGES: 3404-3412
538
TITLE: Accurate computations of the rovibrational spectrum of the He-HF van der Waals complex Full Text
AUTHORS: Fajin, JLC ; Fernandez, B; Mikoszz, A; Farrelly, D;
PUBLISHED: 2006, SOURCE: MOLECULAR PHYSICS, VOLUME: 104, ISSUE: 9, PAGES: 1413-1420
AUTHORS: Fajin, JLC ; Fernandez, B; Mikoszz, A; Farrelly, D;
PUBLISHED: 2006, SOURCE: MOLECULAR PHYSICS, VOLUME: 104, ISSUE: 9, PAGES: 1413-1420
539
TITLE: Accurate intermolecular ground state potential of the He-HCl van der Waals complex Full Text
AUTHORS: Fajin, JLC ; Fernandez, B;
PUBLISHED: 2006, SOURCE: CHEMICAL PHYSICS LETTERS, VOLUME: 419, ISSUE: 1-3, PAGES: 55-58
AUTHORS: Fajin, JLC ; Fernandez, B;
PUBLISHED: 2006, SOURCE: CHEMICAL PHYSICS LETTERS, VOLUME: 419, ISSUE: 1-3, PAGES: 55-58
540
TITLE: Application of the replacement method as a novel variable selection strategy in QSAR. 1. Carcinogenic potential Full Text
AUTHORS: Morales, AH; Duchowicz, PR; Perez, MAC; Castro, EA; Cordeiro, MNDS ; Gonzalez, MP;
PUBLISHED: 2006, SOURCE: CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS, VOLUME: 81, ISSUE: 2, PAGES: 180-187
AUTHORS: Morales, AH; Duchowicz, PR; Perez, MAC; Castro, EA; Cordeiro, MNDS ; Gonzalez, MP;
PUBLISHED: 2006, SOURCE: CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS, VOLUME: 81, ISSUE: 2, PAGES: 180-187
