Quimat - Cheminformatics and Materials (Quimat)

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

Update Citation

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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!

Update PrePrints

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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!

Publications Count: 654

15 Team Members
Filters -> Year: 2026
101
TITLE: Turning deep-eutectic solvents into value-added products for CO2 capture: A desirability-based virtual screening study  Full Text
AUTHORS: Ambure, Pravin ; Perez Castillo, Yunierkis; Halder, Amit Kumar; Cordeiro, M. Natalia D. S. ;
PUBLISHED: 2022, SOURCE: JOURNAL OF CO2 UTILIZATION, VOLUME: 58, PAGES: 101926
INDEXED IN: Scopus WOS CrossRef: 39
102
TITLE: "Ethics against Chemistry": Solving a Crime Using Chemistry Concepts and Storytelling in a History of Science-Based Interactive Game for Middle School Students  Full Text
AUTHORS: Dias, D; José Ferraz-Caetano ; Paiva, J ;
PUBLISHED: 2021, SOURCE: JOURNAL OF CHEMICAL EDUCATION, VOLUME: 98, ISSUE: 5, PAGES: 1681-1690
INDEXED IN: Scopus WOS CrossRef: 8 Unpaywall
103
TITLE: Advanced Materials Based on Nanosized Hydroxyapatite  Full Text
AUTHORS: Ramón Rial; Michael González-Durruthy ; Zhen Liu; Juan M Ruso;
PUBLISHED: 2021, SOURCE: Molecules, VOLUME: 26, ISSUE: 11, PAGES: 3190
INDEXED IN: CrossRef: 49
104
TITLE: Aiming High versus Aiming All: Aquatic Toxicology and QSAR Multitarget Models. Aquatic Toxicology and QSAR Multitarget Models
AUTHORS: Moura, AS; Cordeiro, MNDS ;
PUBLISHED: 2021, SOURCE: Chemometrics and Cheminformatics in Aquatic Toxicology, PAGES: 167-179
INDEXED IN: Scopus CrossRef
105
TITLE: AKT Inhibitors: The Road Ahead to Computational Modeling-Guided Discovery  Full Text
AUTHORS: Halder, AK ; Cordeiro, MNDS ;
PUBLISHED: 2021, SOURCE: INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, VOLUME: 22, ISSUE: 8, PAGES: 3944
INDEXED IN: Scopus WOS CrossRef: 18
106
TITLE: Chapter 11: Supported Vanadium Catalysts: Heterogeneous Molecular Complexes, Electrocatalysis and Biomass Transformation
AUTHORS: cristina freire ; Clara Pereira ; Jarrais, B; Fernandes, D ; Andreia F. Peixoto ; Cordeiro, N ; Teixeira, F ;
PUBLISHED: 2021, SOURCE: RSC Catalysis Series, VOLUME: 2021-January, ISSUE: 41, PAGES: 241-284
INDEXED IN: Scopus CrossRef: 1 Unpaywall
107
TITLE: Chemistry edutainment: A storytelling activity for middle-school children. A Storytelling Activity for Middle-School Children
AUTHORS: José Ferraz-Caetano ; Dias, D;
PUBLISHED: 2021, SOURCE: Handbook of Research on Contemporary Storytelling Methods Across New Media and Disciplines, PAGES: 364-391
INDEXED IN: Scopus CrossRef
108
TITLE: Chemometric Modeling of Daphnia Toxicity
AUTHORS: Halder, AK ; Cordeiro, MNDS ;
PUBLISHED: 2021, SOURCE: Chemometrics and Cheminformatics in Aquatic Toxicology, PAGES: 293-317
INDEXED IN: Scopus CrossRef
109
TITLE: Computational Biology: A New Frontier in Applied Biology
AUTHORS: Toma, M; Concu, R ;
PUBLISHED: 2021, SOURCE: BIOLOGY-BASEL, VOLUME: 10, ISSUE: 5, PAGES: 374
INDEXED IN: Scopus WOS CrossRef: 2
110
TITLE: Databases for the study of biofilms: current status and potential applications  Full Text
AUTHORS: Martins, FG; Melo, A ; Sérgio F. Sousa ;
PUBLISHED: 2021, SOURCE: BIOFOULING, VOLUME: 37, ISSUE: 1, PAGES: 96-108
INDEXED IN: Scopus WOS CrossRef: 4
111
TITLE: Density of Deep Eutectic Solvents: The Path Forward Cheminformatics-Driven Reliable Predictions for Mixtures  Full Text
AUTHORS: Halder, AK ; Haghbakhsh, R; Voroshylova, IV ; Duarte, ARC; Cordeiro, MNDS ;
PUBLISHED: 2021, SOURCE: MOLECULES, VOLUME: 26, ISSUE: 19, PAGES: 5779
INDEXED IN: Scopus WOS CrossRef: 36
113
TITLE: Discovery of Cyanobacterial Natural Products Containing Fatty Acid Residues**  Full Text
AUTHORS: Figueiredo, SAC; Preto, M; Moreira, G ; Martins, TP; Abt, K; Melo, A ; Vasconcelos, VM ; Leao, PN ;
PUBLISHED: 2021, SOURCE: ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, VOLUME: 60, ISSUE: 18, PAGES: 10064-10072
INDEXED IN: Scopus WOS CrossRef: 30
114
TITLE: Exploring the conformational binding mechanism of fibrinogen induced by interactions with penicillin beta-lactam antibiotic drugs  Full Text
AUTHORS: Gonzalez Durruthy, M ; Rial, R; Cordeiro, MNDS ; Liu, Z; Ruso, JM;
PUBLISHED: 2021, SOURCE: JOURNAL OF MOLECULAR LIQUIDS, VOLUME: 324, PAGES: 114667
INDEXED IN: Scopus WOS CrossRef: 18
115
TITLE: First-principles-based kinetic Monte Carlo simulations of CO oxidation on catalytic Au(110) and Ag(110) surfaces  Full Text
AUTHORS: Fajin, JLC ; Moura, AS ; Cordeiro, MNDS ;
PUBLISHED: 2021, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 23, ISSUE: 25, PAGES: 14037-14050
INDEXED IN: Scopus WOS CrossRef: 9
116
TITLE: Heavy metal ion separation from industrial wastewater using stacked graphene Membranes: A molecular dynamics simulation study  Full Text
AUTHORS: Giri, AK; Cordeiro, MNDS ;
PUBLISHED: 2021, SOURCE: JOURNAL OF MOLECULAR LIQUIDS, VOLUME: 338, PAGES: 116688
INDEXED IN: Scopus WOS CrossRef: 44
117
TITLE: Identification of New Potential Inhibitors of Quorum Sensing through a Specialized Multi-Level Computational Approach  Full Text
AUTHORS: Martins, FG; Melo, A ; Sérgio F. Sousa ;
PUBLISHED: 2021, SOURCE: MOLECULES, VOLUME: 26, ISSUE: 9, PAGES: 2600
INDEXED IN: Scopus WOS CrossRef: 26
118
TITLE: Insights into the catalytic activity of trimetallic Al/Zn/Cu surfaces for the water gas shift reaction  Full Text
AUTHORS: Fajin, JLC ; Cordeiro, MNDS ;
PUBLISHED: 2021, SOURCE: APPLIED SURFACE SCIENCE, VOLUME: 542, PAGES: 148589
INDEXED IN: Scopus WOS CrossRef: 15
119
TITLE: Ionic liquid-metal interface: The origins of capacitance peaks  Full Text
AUTHORS: Voroshylova, IV ; Ers, H; Koverga, V; Docampo Alvarez, B; Pikma, P; Ivanistsev, VB; Cordeiro, MNDS ;
PUBLISHED: 2021, SOURCE: ELECTROCHIMICA ACTA, VOLUME: 379, PAGES: 138148
INDEXED IN: Scopus WOS CrossRef: 42
120
TITLE: Light alcohols reforming towards renewable hydrogen production on multicomponent catalysts  Full Text
AUTHORS: Fajin, JLC ; Cordeiro, MNDS ;
PUBLISHED: 2021, SOURCE: RENEWABLE & SUSTAINABLE ENERGY REVIEWS, VOLUME: 138, PAGES: 110523
INDEXED IN: Scopus WOS CrossRef: 18

Results per Page: 20.
Page 6 of 33. Total results: 654.