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: 654
15 Team MembersFilters -> Year: 2026
581
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
582
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
583
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
584
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
585
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
586
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
587
TITLE: beta-nitrostyrene derivatives as potential antibacterial agents: A structure-property-activity relationship study
AUTHORS: Milhazes, N ; Calheiros, R; Marques, MPM ; Garrido, J ; Cordeiro, MNDS ; Rodrigues, C; Quinteira, S ; Novais, C ; Peixe, L ; Borges, F ;
PUBLISHED: 2006, SOURCE: Bioorganic & Medicinal Chemistry in BIOORGANIC & MEDICINAL CHEMISTRY, VOLUME: 14, ISSUE: 12, PAGES: 4078-4088
AUTHORS: Milhazes, N ; Calheiros, R; Marques, MPM ; Garrido, J ; Cordeiro, MNDS ; Rodrigues, C; Quinteira, S ; Novais, C ; Peixe, L ; Borges, F ;
PUBLISHED: 2006, SOURCE: Bioorganic & Medicinal Chemistry in BIOORGANIC & MEDICINAL CHEMISTRY, VOLUME: 14, ISSUE: 12, PAGES: 4078-4088
588
TITLE: Catanionic surfactant films at the air-water interface Full Text
AUTHORS: Yujie J Wang; Carlos M Pereira ; Eduardo F Marques ; Rodrigo O Brito; Ferreira, ES ; Silva, F ;
PUBLISHED: 2006, SOURCE: THIN SOLID FILMS, VOLUME: 515, ISSUE: 4, PAGES: 2031-2037
AUTHORS: Yujie J Wang; Carlos M Pereira ; Eduardo F Marques ; Rodrigo O Brito; Ferreira, ES ; Silva, F ;
PUBLISHED: 2006, SOURCE: THIN SOLID FILMS, VOLUME: 515, ISSUE: 4, PAGES: 2031-2037
589
TITLE: Electrochemistry of 2,8-dithia[9],(2,9)-1,10-phenanthrolinophane (L) at the polarized water/1, 2-dichloroethane interface: Evaluation of the complexation properties towards transition and post-transition metal ions Full Text
AUTHORS: Ferreira, ES ; Garau, A; Lippolis, V; Pereira, CM ; Silva, F ;
PUBLISHED: 2006, SOURCE: JOURNAL OF ELECTROANALYTICAL CHEMISTRY, VOLUME: 587, ISSUE: 1, PAGES: 155-160
AUTHORS: Ferreira, ES ; Garau, A; Lippolis, V; Pereira, CM ; Silva, F ;
PUBLISHED: 2006, SOURCE: JOURNAL OF ELECTROANALYTICAL CHEMISTRY, VOLUME: 587, ISSUE: 1, PAGES: 155-160
590
TITLE: Molecular dynamics study of 2-nitrophenyl octyl ether and nitrobenzene
AUTHORS: Jorge, M; Gulaboski, R; Pereira, CM ; Cordeiro, MNDS ;
PUBLISHED: 2006, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY B, VOLUME: 110, ISSUE: 25, PAGES: 12530-12538
AUTHORS: Jorge, M; Gulaboski, R; Pereira, CM ; Cordeiro, MNDS ;
PUBLISHED: 2006, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY B, VOLUME: 110, ISSUE: 25, PAGES: 12530-12538
591
TITLE: Molecular dynamics study of nitrobenzene and 2-nitrophenyloctyl ether saturated with water Full Text
AUTHORS: Jorge, M; Gulaboski, R; Pereira, CM ; Cordeiro, MNDS ;
PUBLISHED: 2006, SOURCE: 7th Liblice Conference on Statistical Mechanics of Liquids in MOLECULAR PHYSICS, VOLUME: 104, ISSUE: 22-24, PAGES: 3627-3634
AUTHORS: Jorge, M; Gulaboski, R; Pereira, CM ; Cordeiro, MNDS ;
PUBLISHED: 2006, SOURCE: 7th Liblice Conference on Statistical Mechanics of Liquids in MOLECULAR PHYSICS, VOLUME: 104, ISSUE: 22-24, PAGES: 3627-3634
592
TITLE: Molecular interactions between human cytochrome P450 1A2 and flavone derivatives
AUTHORS: da Fonseca, R; Melo, A ; Iori, F; Menziani, C; Ramos, MJ ;
PUBLISHED: 2006, SOURCE: Medicinal Chemistry, VOLUME: 2, ISSUE: 4, PAGES: 401-406
AUTHORS: da Fonseca, R; Melo, A ; Iori, F; Menziani, C; Ramos, MJ ;
PUBLISHED: 2006, SOURCE: Medicinal Chemistry, VOLUME: 2, ISSUE: 4, PAGES: 401-406
INDEXED IN: 
Scopus 
CrossRef
Scopus CrossRef593
TITLE: The p-difluorobenzene-argon S-1 excited state intermolecular potential energy surface
AUTHORS: Jose Luis C Cagide Fajin ; Berta Fernandez; Peter M Felker;
PUBLISHED: 2006, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 110, ISSUE: 49, PAGES: 13259-13263
AUTHORS: Jose Luis C Cagide Fajin ; Berta Fernandez; Peter M Felker;
PUBLISHED: 2006, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 110, ISSUE: 49, PAGES: 13259-13263
INDEXED IN: Scopus 
WOS
Scopus WOS594
TITLE: Unusual solvent effect on a S(N)2 reaction. A quantum-mechanical and kinetic study of the Menshutkin reaction between 2-amino-1-methylbenzimidazole and iodomethane in the gas phase and in acetonitrile
AUTHORS: Melo, A ; Alfaia, AJI ; Reis, JCR ; Calado, ART;
PUBLISHED: 2006, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY B, VOLUME: 110, ISSUE: 4, PAGES: 1877-1888
AUTHORS: Melo, A ; Alfaia, AJI ; Reis, JCR ; Calado, ART;
PUBLISHED: 2006, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY B, VOLUME: 110, ISSUE: 4, PAGES: 1877-1888
595
TITLE: Computational Insight into Anti-mutagenic Properties of CYP1A Flavonoid Ligands
AUTHORS: Rute da Fonseca; Michele Marini; Andre Melo ; Maria Cristina Menziani; Maria Joao Ramos ;
PUBLISHED: 2005, SOURCE: MEDICINAL CHEMISTRY, VOLUME: 1, ISSUE: 4, PAGES: 355-360
AUTHORS: Rute da Fonseca; Michele Marini; Andre Melo ; Maria Cristina Menziani; Maria Joao Ramos ;
PUBLISHED: 2005, SOURCE: MEDICINAL CHEMISTRY, VOLUME: 1, ISSUE: 4, PAGES: 355-360
596
TITLE: Electrochemical study of ion transfer of acetylcholine across the interface of water and a lipid-modified 1,2-dichloroethane
AUTHORS: Gulaboski, R; Pereira, CM ; Cordeiro, MNDS ; Bogeski, I; Ferreira, E ; Ribeiro, D; Chirea, M ; Silva, AF ;
PUBLISHED: 2005, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY B, VOLUME: 109, ISSUE: 25, PAGES: 12549-12559
AUTHORS: Gulaboski, R; Pereira, CM ; Cordeiro, MNDS ; Bogeski, I; Ferreira, E ; Ribeiro, D; Chirea, M ; Silva, AF ;
PUBLISHED: 2005, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY B, VOLUME: 109, ISSUE: 25, PAGES: 12549-12559
597
TITLE: Energy partitioning in association processes Full Text
AUTHORS: Carvalho, ARF ; Melo, A ;
PUBLISHED: 2005, SOURCE: 8th Annual Meeting of the V-A-Fock-School on Quantum and Computational Chemistry in INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, VOLUME: 104, ISSUE: 2, PAGES: 240-248
AUTHORS: Carvalho, ARF ; Melo, A ;
PUBLISHED: 2005, SOURCE: 8th Annual Meeting of the V-A-Fock-School on Quantum and Computational Chemistry in INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, VOLUME: 104, ISSUE: 2, PAGES: 240-248
598
TITLE: Enzymatic formation of ions and their detection at a three-phase electrode Full Text
AUTHORS: Gulaboski, R; Pereira, CM ; Cordeiro, MNDS ; Bogeski, I; Silva, F ;
PUBLISHED: 2005, SOURCE: JOURNAL OF SOLID STATE ELECTROCHEMISTRY, VOLUME: 9, ISSUE: 6, PAGES: 469-474
AUTHORS: Gulaboski, R; Pereira, CM ; Cordeiro, MNDS ; Bogeski, I; Silva, F ;
PUBLISHED: 2005, SOURCE: JOURNAL OF SOLID STATE ELECTROCHEMISTRY, VOLUME: 9, ISSUE: 6, PAGES: 469-474
599
TITLE: Experimental and DFT study of the aza-Diels-Alder reaction between cyclopentadiene and protonated benzylimine derivated from glyoxylates Full Text
AUTHORS: Rodriguez Borges, JE ; Garcia Mera, X; Fernandez, F; Lopes, VHC; Magalhaes, AL ; Cordeiro, MNDS ;
PUBLISHED: 2005, SOURCE: TETRAHEDRON, VOLUME: 61, ISSUE: 46, PAGES: 10951-10957
AUTHORS: Rodriguez Borges, JE ; Garcia Mera, X; Fernandez, F; Lopes, VHC; Magalhaes, AL ; Cordeiro, MNDS ;
PUBLISHED: 2005, SOURCE: TETRAHEDRON, VOLUME: 61, ISSUE: 46, PAGES: 10951-10957
600
TITLE: Molecular dynamics simulations of angiotensin II in aqueous and dimethyl sulfoxide environments
AUTHORS: Preto, MAC; Melo, A ; Maia, HLS; Mavromoustakos, T; Ramos, MJ ;
PUBLISHED: 2005, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY B, VOLUME: 109, ISSUE: 37, PAGES: 17743-17751
AUTHORS: Preto, MAC; Melo, A ; Maia, HLS; Mavromoustakos, T; Ramos, MJ ;
PUBLISHED: 2005, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY B, VOLUME: 109, ISSUE: 37, PAGES: 17743-17751
