个人简历
Education Experience 1988-1991 Ph. D. University of Sao Paulo, Brazil 1994-1997 Postdoctoral University of California, San Diego, USA Professional Experience 1981-1984 Analyst in Science and Technology National Council for Scientific and Technological Development (CNPq), Brazil 1985-1989 Chemistry Program Supervisor CNpq, Brasilia-DF, Brazil 1990-1993 Coordinator of RHAE and QEQ (PADCT) CNpq, Brasilia-DF, Brazil 1994-1997 Post-doc fellow Phys. Depart. Univ. California, San Diego and the San Diego Super Computer Center, La Jolla, CA, USA 1997-1999 Coordinator Biological and Environmental Sciences, CNPq, Brasilia-DF, Brazil 1999-2002 Manager and Researcher International collaboration project Brazil x Austria, University of Vienna 2003-2003 Programme Officer United Nations Office for Outer Space Affairs (UN-OOSA), Vienna, Austria 2004-2004 Senior Scientist University of Vienna 2005-2013 Senior Scientist University of Vienna, the University of Natural Resources and Applied Sciences, Vienna, 2011-2015 Research Professor Department of Chemistry and Biochemistry,Texas Tech University, Lubbock, Texas, USA 2015- Adjunct Professor Department of Chemistry and Biochemistry, Texas Tech University, Lubbock, Texas 2015- Professor School of Pharmaceutical Science and Technology, Tianjin University
研究领域
The research in the Aquino group is based on computer simulations by means of quantum chemical methods applied to the following areas: (i) modeling basic interactions in molecular models of humic substances such as nanopores and wet regions, (ii) the interaction between mineral surfaces and different organic compounds, (iii) modeling of defect transport in DNA, (iv) excited-state proton transfer, (v) modeling of graphene defects and (vi) photovoltaic processes.
近期论文
2015 Absorption and Fluorescence Spectra of Poly(p-phenylenevinylene) (PPV) Oligomers: An ab Initio Simulation Cardozo, Thiago M.; Aquino, Adelia J. A.; Barbatti, Mario; et al. Journal of Physical Chemistry a 119 2015 Electronic Excitation Processes in Single-Strand and Double-Strand DNA: A Computational Approach Plasser, Felix; Aquino, Adelia J. A.; Lischka, Hans; et al. Photoinduced Phenomena in Nucleic Acids Ii: DNA Fragments and Phenomenological Aspects 356 2015 Electronic Structure and Vibrational Mode Study of Nafion Membrane Interfacial Water Interactions Kabrane, Joseph; Aquino, Adelia J. A. Journal of Physical Chemistry a 119 2015 Intramolecular Charge-Transfer Excited-State Processes in 4-(N,N-Dimethylamino)benzonitrile: The Role of Twisting and the pi sigma* State Georgieva, Ivelina; Aquino, Adelia J. A.; Plasser, Felix; et al. Journal of Physical Chemistry a 119 2015 The electronic states of a double carbon vacancy defect in pyrene: a model study for graphene Machado, Francisco B. C.; Aquino, Adelia J. A.; Lischka, Hans Physical Chemistry Chemical Physics 17 2014 A Multireference Configuration Interaction Study of the Photodynamics of Nitroethylene Borges, Itamar, Jr.; Aquino, Adelia J. A.; Lischka, Hans Journal of Physical Chemistry a 118 2014 An "inverse" frustrated Lewis pair (FLP) approach toward the activation and heterolytic cleavage of molecular dihydrogen Li, Hui; Krempner, Clemens; Aquino, Adelia J. A.; et al. Abstracts of Papers of the American Chemical Society 247 2014 Comparison of LC-TDDFT and ADC(2) Methods in Computations of Bright and Charge Transfer States in Stacked Oligothiophenes Li, Hao; Nieman, Reed; Aquino, Adelia J. A.; et al. Journal of Chemical Theory and Computation 10 2014 Direct exfoliation of graphene in ionic liquids with aromatic groups Bari, Rozana; Tamas, George; Irin, Fahmida; et al. Colloids and Surfaces a-Physicochemical and Engineering Aspects 463 2014 Intermolecular interactions and charge transfer transitions in aromatic hydrocarbon-tetracyanoethylene complexes Aquino, Adelia J. A.; Borges, Itamar, Jr.; Nieman, Reed; et al. Physical Chemistry Chemical Physics 16 2014 Molecular Models of Cation and Water Molecule Bridges in Humic Substances Tunega, Daniel; Aquino, Adelia J. A.; Haberhauer, Georg; et al. Soil Carbon 2014 Properties of Complexes Formed by Na , Mg2 , and Fe2 Binding with Benzene Molecules Kolakkandy, Sujitha; Pratihar, Subha; Aquino, Adelia J. A.; et al. Journal of Physical Chemistry a 118 2014 Proton transfer processes in polar regions of humic substances initiated by aqueous aluminum cation bridges: A computational study Aquino, Adelia J. A.; Tunega, Daniel; Schaumann, Gabriele E.; et al. Geoderma 213 2014 The Diverse Manifold of Electronic States Generated by a Single Carbon Defect in a Graphene Sheet: Multireference Calculations Using a Pyrene Defect Model Machado, Francisco B. C.; Aquino, Adelia J. A.; Lischka, Hans Chemphyschem 15 2013 A Zwitterionic Carbanion Frustrated by Boranes - Dihydrogen Cleavage with Weak Lewis Acids via an "Inverse" Frustrated Lewis Pair Approach Li, Hui; Aquino, Adelia J. A.; Cordes, David B.; et al. Journal of the American Chemical Society 135 2013 Ab Initio Modeling of Excitonic and Charge-Transfer States in Organic Semiconductors: The PTB1/PCBM Low Band Gap System Borges, Itamar, Jr.; Aquino, Adelia J. A.; Koehn, Andreas; et al. Journal of the American Chemical Society 135 2013 Electronically Excited States in Poly(p-phenylenevinylene): Vertical Excitations and Torsional Potentials from High-Level Ab Initio Calculations Panda, Aditya N.; Plasse, Felix; Aquino, Adelia J. A.; et al. Journal of Physical Chemistry a 117 2013 Multiscale Simulation of the Ground and Photo-Induced Charge-Separated States of a Molecular Triad in Polar Organic Solvent: Exploring the Conformations, Fluctuations, and Free Energy Landscapes Balamurugan, D.; Aquino, Adelia J. A.; de Dios, Francis; et al. Journal of Physical Chemistry B 117 2013 Restructuring of a Peat in Interaction with Multivalent Cations: Effect of Cation Type and Aging Time Kunhi Mouvenchery, Yamuna; Jaeger, Alexander; Aquino, Adelia J. A.; et al. Plos One 8 2013 Synthesis and Characterization of Terpyridine-Supported Boron Cations: Evidence for Pentacoordination at Boron McGovern, Gregory P.; Zhu, Di; Aquino, Adelia J. A.; et al. Inorganic Chemistry 52
