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
601
TITLE: p-difluorobenzene-argon ground state intermolecular potential energy surface
AUTHORS: Fajin, JLC ; Fernandez, B; Felker, PM;
PUBLISHED: 2005, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 109, ISSUE: 50, PAGES: 11602-11608
AUTHORS: Fajin, JLC ; Fernandez, B; Felker, PM;
PUBLISHED: 2005, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 109, ISSUE: 50, PAGES: 11602-11608
602
TITLE: Special issue: A collection of papers presented at the 30th international congress of theoretical chemists of Latin Expression, Porto, Portugal, 8-12 September 2004 - Foreword Full Text
AUTHORS: Ramos, MJ ; Magalhaes, AL ; Melo, AS ; Fernandes, PA ;
PUBLISHED: 2005, SOURCE: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, VOLUME: 729, ISSUE: 1-2
AUTHORS: Ramos, MJ ; Magalhaes, AL ; Melo, AS ; Fernandes, PA ;
PUBLISHED: 2005, SOURCE: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, VOLUME: 729, ISSUE: 1-2
603
TITLE: Accurate intermolecular ground state potential of the Ne-HCl van der Waals complex Full Text
AUTHORS: Fajin, JLC ; Cacheiro, JL; Fernandez, B;
PUBLISHED: 2004, SOURCE: JOURNAL OF CHEMICAL PHYSICS, VOLUME: 121, ISSUE: 10, PAGES: 4599-4604
AUTHORS: Fajin, JLC ; Cacheiro, JL; Fernandez, B;
PUBLISHED: 2004, SOURCE: JOURNAL OF CHEMICAL PHYSICS, VOLUME: 121, ISSUE: 10, PAGES: 4599-4604
604
TITLE: Fermi resonance coupling in the C-H stretching region of methoxide adsorbed on clean Ru(001): a combined RAIRS and theoretical study Full Text
AUTHORS: Pinto, ASS; de Barros, RB; Cordeiro, MNDS ; Gomes, JANF ; Garcia, AR; Ilharco, LM ;
PUBLISHED: 2004, SOURCE: 22nd European Conference on Surface Science (ECOSS 22) in SURFACE SCIENCE, VOLUME: 566, ISSUE: 1-3 PART 2, PAGES: 965-970
AUTHORS: Pinto, ASS; de Barros, RB; Cordeiro, MNDS ; Gomes, JANF ; Garcia, AR; Ilharco, LM ;
PUBLISHED: 2004, SOURCE: 22nd European Conference on Surface Science (ECOSS 22) in SURFACE SCIENCE, VOLUME: 566, ISSUE: 1-3 PART 2, PAGES: 965-970
605
TITLE: Fluorobenzene-argon ground-state intermolecular potential energy surface Full Text
AUTHORS: Fajin, JLC ; Cacheiro, JL; Fernandez, B; Makarewicz, J;
PUBLISHED: 2004, SOURCE: JOURNAL OF CHEMICAL PHYSICS, VOLUME: 120, ISSUE: 18, PAGES: 8582-8586
AUTHORS: Fajin, JLC ; Cacheiro, JL; Fernandez, B; Makarewicz, J;
PUBLISHED: 2004, SOURCE: JOURNAL OF CHEMICAL PHYSICS, VOLUME: 120, ISSUE: 18, PAGES: 8582-8586
606
TITLE: Modeling chemical and biological systems: A successful course for undergraduate students Full Text
AUTHORS: Ramos, MJ ; Fernandes, PA ; Melo, A ;
PUBLISHED: 2004, SOURCE: JOURNAL OF CHEMICAL EDUCATION, VOLUME: 81, ISSUE: 1, PAGES: 72-75
AUTHORS: Ramos, MJ ; Fernandes, PA ; Melo, A ;
PUBLISHED: 2004, SOURCE: JOURNAL OF CHEMICAL EDUCATION, VOLUME: 81, ISSUE: 1, PAGES: 72-75
607
TITLE: Natural inhibitors of proteases - pharmacological target for destabilization/stabilization of the protease/inhibitor complex Full Text
AUTHORS: Carvalho, A ; Melo, A ;
PUBLISHED: 2004, SOURCE: FUNDAMENTAL & CLINICAL PHARMACOLOGY, VOLUME: 18, PAGES: 79-79
AUTHORS: Carvalho, A ; Melo, A ;
PUBLISHED: 2004, SOURCE: FUNDAMENTAL & CLINICAL PHARMACOLOGY, VOLUME: 18, PAGES: 79-79
INDEXED IN: 
WOS
WOS608
TITLE: Phenolic acid derivatives with potential anticancer properties - a structure-activity relationship study. Part 1: Methyl, propyl and octyl esters of caffeic and gallic acids Full Text
AUTHORS: Fiuza, SM ; Gomes, C; Teixeira, LJ; da Cruz, MTG ; Cordeiro, MNDS ; Milhazes, N ; Borges, F ; Marques, MPM ;
PUBLISHED: 2004, SOURCE: BIOORGANIC & MEDICINAL CHEMISTRY, VOLUME: 12, ISSUE: 13, PAGES: 3581-3589
AUTHORS: Fiuza, SM ; Gomes, C; Teixeira, LJ; da Cruz, MTG ; Cordeiro, MNDS ; Milhazes, N ; Borges, F ; Marques, MPM ;
PUBLISHED: 2004, SOURCE: BIOORGANIC & MEDICINAL CHEMISTRY, VOLUME: 12, ISSUE: 13, PAGES: 3581-3589
609
TITLE: Toward the prediction of the activity of antioxidants: Experimental and theoretical study of the gas-phase acidities of flavonoids
AUTHORS: Martins, HFP; Leal, JP ; Fernandez, MT; Lopes, VHC; Cordeiro, MNDS ;
PUBLISHED: 2004, SOURCE: JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY, VOLUME: 15, ISSUE: 6, PAGES: 848-861
AUTHORS: Martins, HFP; Leal, JP ; Fernandez, MT; Lopes, VHC; Cordeiro, MNDS ;
PUBLISHED: 2004, SOURCE: JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY, VOLUME: 15, ISSUE: 6, PAGES: 848-861
610
TITLE: A direct classical trajectory study of the acetone photodissociation on the triplet surface Full Text
AUTHORS: Martinez Nunez, E; Fernandez Ramos, A; Cordeiro, MNDS ; Vazquez, SA; Aoiz, FJ; Banares, L;
PUBLISHED: 2003, SOURCE: JOURNAL OF CHEMICAL PHYSICS, VOLUME: 119, ISSUE: 20, PAGES: 10618-10625
AUTHORS: Martinez Nunez, E; Fernandez Ramos, A; Cordeiro, MNDS ; Vazquez, SA; Aoiz, FJ; Banares, L;
PUBLISHED: 2003, SOURCE: JOURNAL OF CHEMICAL PHYSICS, VOLUME: 119, ISSUE: 20, PAGES: 10618-10625
611
TITLE: A direct DFT dynamics study of the photodissociation of triplet acetaldehyde Full Text
AUTHORS: Cordeiro, MNDS ; Martinez Nunez, E; Fernandez Ramos, A; Vazquez, SA;
PUBLISHED: 2003, SOURCE: CHEMICAL PHYSICS LETTERS, VOLUME: 375, ISSUE: 5-6, PAGES: 591-597
AUTHORS: Cordeiro, MNDS ; Martinez Nunez, E; Fernandez Ramos, A; Vazquez, SA;
PUBLISHED: 2003, SOURCE: CHEMICAL PHYSICS LETTERS, VOLUME: 375, ISSUE: 5-6, PAGES: 591-597
612
TITLE: Direct dynamics study of the photodissociation of triplet propanal at threshold
AUTHORS: Cordeiro, MNDS ; Martinez Nunez, E; Fernandez Ramos, A; Vazquez, SA;
PUBLISHED: 2003, SOURCE: Renewable and Sustainable Energy Reviews, VOLUME: 7, ISSUE: 6, PAGES: 37-44
AUTHORS: Cordeiro, MNDS ; Martinez Nunez, E; Fernandez Ramos, A; Vazquez, SA;
PUBLISHED: 2003, SOURCE: Renewable and Sustainable Energy Reviews, VOLUME: 7, ISSUE: 6, PAGES: 37-44
INDEXED IN: 
Scopus
Scopus613
TITLE: Direct dynamics study of the photodissociation of triplet propanal at threshold Full Text
AUTHORS: Cordeiro, MNDS ; Martinez Nunez, E; Fernandez Ramos, A; Vazquez, SA;
PUBLISHED: 2003, SOURCE: CHEMICAL PHYSICS LETTERS, VOLUME: 381, ISSUE: 1-2, PAGES: 37-44
AUTHORS: Cordeiro, MNDS ; Martinez Nunez, E; Fernandez Ramos, A; Vazquez, SA;
PUBLISHED: 2003, SOURCE: CHEMICAL PHYSICS LETTERS, VOLUME: 381, ISSUE: 1-2, PAGES: 37-44
614
TITLE: Interfacial tension behaviour of water/hydrocarbon liquid-liquid interfaces: A molecular dynamics simulation Full Text
AUTHORS: Cordeiro, MNDS ;
PUBLISHED: 2003, SOURCE: Yangtze Conference on Fluids and Interfaces in MOLECULAR SIMULATION, VOLUME: 29, ISSUE: 12, PAGES: 817-827
AUTHORS: Cordeiro, MNDS ;
PUBLISHED: 2003, SOURCE: Yangtze Conference on Fluids and Interfaces in MOLECULAR SIMULATION, VOLUME: 29, ISSUE: 12, PAGES: 817-827
615
TITLE: Isolation and structural characterization of new acylated anthocyanin-vinyl-flavanol pigments occurring in aging red wines Full Text
AUTHORS: Mateus, N ; Carvalho, E; Carvalho, ARF ; Melo, A ; Gonzalez Paramas, AM; Santos Buelga, C; Silva, AMS ; de Freitas, V ;
PUBLISHED: 2003, SOURCE: JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, VOLUME: 51, ISSUE: 1, PAGES: 277-282
AUTHORS: Mateus, N ; Carvalho, E; Carvalho, ARF ; Melo, A ; Gonzalez Paramas, AM; Santos Buelga, C; Silva, AMS ; de Freitas, V ;
PUBLISHED: 2003, SOURCE: JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, VOLUME: 51, ISSUE: 1, PAGES: 277-282
616
TITLE: Matrix-isolation FTIR study of azidoacetone and azidoacetonitrile Full Text
AUTHORS: Frankowski, M; Fox, BS; Smith Gicklhorn, AM; Beyer, MK; Bondybey, VE; Algarra, M; Costa, ML ; Rodrigues, P; Barros, MT ; Cordeiro, MNDS ;
PUBLISHED: 2003, SOURCE: 4th International Conference on Cryocrystals and Quantum Crystals (CC 2002) in LOW TEMPERATURE PHYSICS, VOLUME: 29, ISSUE: 9-10, PAGES: 870-875
AUTHORS: Frankowski, M; Fox, BS; Smith Gicklhorn, AM; Beyer, MK; Bondybey, VE; Algarra, M; Costa, ML ; Rodrigues, P; Barros, MT ; Cordeiro, MNDS ;
PUBLISHED: 2003, SOURCE: 4th International Conference on Cryocrystals and Quantum Crystals (CC 2002) in LOW TEMPERATURE PHYSICS, VOLUME: 29, ISSUE: 9-10, PAGES: 870-875
617
TITLE: Matrix-isolation FTIR study of azidoacetone and azidoacetonitrile
AUTHORS: Frankowski, M; Algarra, M; Rodrigues, P; Barros, MT ; Cordeiro, MNDS ; Fox, BS; Smith Gicklhorn, AM; Beyer, MK; Costa, ML ; Bondybey, VE;
PUBLISHED: 2003, SOURCE: Fizika Nizkikh Temperatur (Kharkov), VOLUME: 29, ISSUE: 9-10, PAGES: 1140-1146
AUTHORS: Frankowski, M; Algarra, M; Rodrigues, P; Barros, MT ; Cordeiro, MNDS ; Fox, BS; Smith Gicklhorn, AM; Beyer, MK; Costa, ML ; Bondybey, VE;
PUBLISHED: 2003, SOURCE: Fizika Nizkikh Temperatur (Kharkov), VOLUME: 29, ISSUE: 9-10, PAGES: 1140-1146
INDEXED IN: Scopus
Scopus618
TITLE: Modelling the metabolic action of human and rat CYP1A2 and its relationship with the carcinogenicity of heterocyclic amines Full Text
AUTHORS: Da Fonseca, R; Menziani, MC; Melo, A ; Ramos, MJ ;
PUBLISHED: 2003, SOURCE: MOLECULAR PHYSICS, VOLUME: 101, ISSUE: 17, PAGES: 2731-2741
AUTHORS: Da Fonseca, R; Menziani, MC; Melo, A ; Ramos, MJ ;
PUBLISHED: 2003, SOURCE: MOLECULAR PHYSICS, VOLUME: 101, ISSUE: 17, PAGES: 2731-2741
619
TITLE: Parametrization of synthetic amino acids
AUTHORS: Preto, MAC; Melo, A ; Costa, SPG ; Maia, HLS; Ramos, MJ ;
PUBLISHED: 2003, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY B, VOLUME: 107, ISSUE: 51, PAGES: 14556-14562
AUTHORS: Preto, MAC; Melo, A ; Costa, SPG ; Maia, HLS; Ramos, MJ ;
PUBLISHED: 2003, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY B, VOLUME: 107, ISSUE: 51, PAGES: 14556-14562
620
TITLE: Synthesis and QSAR study of the anticancer activity of some novel indane carbocyclic nucleosides Full Text
AUTHORS: Yao, SW; Lopes, VHC; Fernandez, F; Garcia Mera, X; Morales, M; Rodriguez Borges, JE ; Cordeiro, MNDS ;
PUBLISHED: 2003, SOURCE: BIOORGANIC & MEDICINAL CHEMISTRY, VOLUME: 11, ISSUE: 23, PAGES: 4999-5006
AUTHORS: Yao, SW; Lopes, VHC; Fernandez, F; Garcia Mera, X; Morales, M; Rodriguez Borges, JE ; Cordeiro, MNDS ;
PUBLISHED: 2003, SOURCE: BIOORGANIC & MEDICINAL CHEMISTRY, VOLUME: 11, ISSUE: 23, PAGES: 4999-5006
