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Selective Phenolics Recovery from Aqueous Residues of Pyrolysis Oil through Computationally Designed Green Solvent.
- Published in:
- Sustainability (2071-1050), 2024, v. 16, n. 17, p. 7497, doi. 10.3390/su16177497
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- Article
Method for Characterization of Solvents for Physical Absorption Processes.
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- Chemical Engineering & Technology, 2017, v. 40, n. 1, p. 28, doi. 10.1002/ceat.201500745
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- Article
Tuning the Hybridization of Local Exciton and Charge‐Transfer States in Highly Efficient Organic Photovoltaic Cells.
- Published in:
- Angewandte Chemie, 2020, v. 132, n. 23, p. 9089, doi. 10.1002/ange.201915030
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- Article
Enhancing Hydrogen Evolution Activity of Au(111) in Alkaline Media through Molecular Engineering of a 2D Polymer.
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- Angewandte Chemie, 2020, v. 132, n. 22, p. 8489, doi. 10.1002/ange.201915855
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- Article
In situ Spectroscopic Insight into the Origin of the Enhanced Performance of Bimetallic Nanocatalysts towards the Oxygen Reduction Reaction (ORR).
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- Angewandte Chemie, 2019, v. 131, n. 45, p. 16208, doi. 10.1002/ange.201908907
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- Publication type:
- Article
A Simple Nanocellulose Coating for Self-Cleaning upon Water Action: Molecular Design of Stable Surface Hydrophilicity.
- Published in:
- Angewandte Chemie, 2017, v. 129, n. 31, p. 9181, doi. 10.1002/ange.201703913
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- Article
Chirality-Assisted Synthesis of a Very Large Octameric Hydrogen-Bonded Capsule.
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- Angewandte Chemie, 2016, v. 128, n. 50, p. 15828, doi. 10.1002/ange.201609073
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- Publication type:
- Article
Directed meta-Selective Bromination of Arenes with Ruthenium Catalysts.
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- Angewandte Chemie, 2015, v. 127, n. 50, p. 15499, doi. 10.1002/ange.201507100
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- Publication type:
- Article
Curved Oligophenylenes as Donors in Shape-Persistent Donor-Acceptor Macrocycles with Solvatofluorochromic Properties.
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- Angewandte Chemie, 2015, v. 127, n. 33, p. 9782, doi. 10.1002/ange.201503397
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- Publication type:
- Article
Oxygen Evolution Catalyzed by a Mononuclear Ruthenium Complex Bearing Pendant SO<sub>3</sub><sup>−</sup> Groups.
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- Angewandte Chemie, 2015, v. 127, n. 27, p. 8092, doi. 10.1002/ange.201503365
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- Publication type:
- Article
Multidimensional De Novo Design Reveals 5-HT<sub>2B</sub> Receptor-Selective Ligands.
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- Angewandte Chemie, 2015, v. 127, n. 5, p. 1571, doi. 10.1002/ange.201410201
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- Publication type:
- Article
Kinetic Control over Pathway Complexity in Supramolecular Polymerization through Modulating the Energy Landscape by Rational Molecular Design.
- Published in:
- Angewandte Chemie, 2014, v. 126, n. 52, p. 14591, doi. 10.1002/ange.201407302
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- Publication type:
- Article
Innovative Molecular Design for a Volume Oriented Component Diagnostic: Modified Magnetic Nanoparticles on High Performance Yarns for Smart Textiles.
- Published in:
- Advanced Engineering Materials, 2014, v. 16, n. 10, p. 1276, doi. 10.1002/adem.201400192
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- Publication type:
- Article
Enhancing hydrolysis of lignocellulosic biomass through molecular modification of lytic polysaccharide monooxygenase from Aspergillus niger.
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- Cellulose, 2024, v. 31, n. 12, p. 7353, doi. 10.1007/s10570-024-06047-9
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- Article
Fifty years of herbicide research: comparing the discovery of trifluralin and halauxifen-methyl.
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- Pest Management Science, 2018, v. 74, n. 1, p. 9, doi. 10.1002/ps.4657
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- Publication type:
- Article
Study on synthesis and thermodynamic properties of 1-(1-pyridinium-1-yl) pentane-(1-methylpiperidinium) bi [bis (trifluoromethanesulfonyl) imide].
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- Journal of Zhengzhou University of Light Industry, Natural Science Edition, 2014, v. 29, n. 5, p. 12, doi. 10.3969/j.issn.2095-476X.2014.05.003
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- Article
Segmented molecular design of self-healing proteinaceous materials.
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- Scientific Reports, 2015, p. 13482, doi. 10.1038/srep13482
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- Publication type:
- Article
Rational molecular engineering of cyclopentadithiophene-bridged D-A-π-A sensitizers combining high photovoltaic efficiency with rapid dye adsorption.
- Published in:
- Scientific Reports, 2015, p. 11330, doi. 10.1038/srep11330
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- Publication type:
- Article
Host-Guest Engineering of Layered Double Hydroxides towards Efficient Oxygen Evolution Reaction: Recent Advances and Perspectives.
- Published in:
- Catalysts (2073-4344), 2018, v. 8, n. 5, p. 214, doi. 10.3390/catal8050214
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- Publication type:
- Article
A photo-triggered self-accelerated nanoplatform for multifunctional image-guided combination cancer immunotherapy.
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- Nature Communications, 2023, v. 14, n. 1, p. 1, doi. 10.1038/s41467-023-40996-2
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- Article
A Novel Methodology for Molecular Design via Data Driven Techniques.
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- Journal of Physical Science, 2017, v. 28, p. 1, doi. 10.21315/jps2017.28.s1.1
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- Publication type:
- Article
An in silico investigation of Kv2.1 potassium channel: Model building and inhibitors binding sites analysis.
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- Molecular Informatics, 2023, v. 42, n. 12, p. 1, doi. 10.1002/minf.202300072
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- Article
On the Misleading Use of QF32 for QSAR Model Comparison.
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- Molecular Informatics, 2019, v. 38, n. 1/2, p. N.PAG, doi. 10.1002/minf.201800029
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- Article
Cheminformatics in Drug Discovery, an Industrial Perspective.
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- Molecular Informatics, 2018, v. 37, n. 9/10, p. 1, doi. 10.1002/minf.201800041
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- Publication type:
- Article
Application of Generative Autoencoder in <italic>De Novo</italic> Molecular Design.
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- Molecular Informatics, 2018, v. 37, n. 1/2, p. 1, doi. 10.1002/minf.201700123
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- Article
De novo Drug Design - Ye olde Scoring Problem Revisited.
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- 2017
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- Publication type:
- Editorial
Applicability Domains and Consistent Structure Generation.
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- Molecular Informatics, 2017, v. 36, n. 1/2, p. n/a, doi. 10.1002/minf.201600032
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- Publication type:
- Article
Multiple-parameter Optimization in Drug Discovery: Example of the 5-HT1B GPCR.
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- Molecular Informatics, 2016, v. 35, n. 11/12, p. 599, doi. 10.1002/minf.201600056
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- Publication type:
- Article
Virtually Designed Triclosan-Based Inhibitors of Enoyl-Acyl Carrier Protein Reductase of Mycobacterium tuberculosis and of Plasmodium falciparum.
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- Molecular Informatics, 2015, v. 34, n. 5, p. 292, doi. 10.1002/minf.201400141
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- Article
Contents: Mol. Inf. 5/2015.
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- Molecular Informatics, 2015, v. 34, n. 5, p. 258, doi. 10.1002/minf.201590010
- Publication type:
- Article
Data Mining of Chemogenomics Data Using Bi-Modal PLS Methods and Chemical Interpretation for Molecular Design.
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- Molecular Informatics, 2014, v. 33, n. 11/12, p. 749, doi. 10.1002/minf.201400061
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- Article
Graphical Abstract: Mol. Inf. 4/2014.
- Published in:
- Molecular Informatics, 2014, v. 33, n. 4, p. 252, doi. 10.1002/minf.201490010
- Publication type:
- Article
Halide Substituted Ammonium Salt Optimized Buried Interface for Efficient and Stable Flexible Perovskite Solar Cells.
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- Advanced Energy Materials, 2023, v. 13, n. 48, p. 1, doi. 10.1002/aenm.202302732
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- Publication type:
- Article
Benzo[1,2‐b:4,5‐b′]difuran Based Polymer Donor for High‐Efficiency (>16%) and Stable Organic Solar Cells.
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- Advanced Energy Materials, 2022, v. 12, n. 9, p. 1, doi. 10.1002/aenm.202103684
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- Publication type:
- Article
A Tour‐Guide through Carbon Nitride‐Land: Structure‐ and Dimensionality‐Dependent Properties for Photo(Electro)Chemical Energy Conversion and Storage.
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- Advanced Energy Materials, 2022, v. 12, n. 4, p. 1, doi. 10.1002/aenm.202101078
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- Article
Molecular Screening of LFS and PSSM-I Diseases in Arabian Horse Population in Turkey.
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- Kafkas Universitesi Veteriner Fakultesi Dergisi, 2017, v. 23, n. 2, p. 339, doi. 10.9775/kvfd.2016.16213
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- Article
Reducing aquatic hazards of industrial chemicals: Probabilistic assessment of sustainable molecular design guidelines.
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- Environmental Toxicology & Chemistry, 2014, v. 33, n. 8, p. 1894, doi. 10.1002/etc.2614
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- Publication type:
- Article
Data‐driven integrated design of solvents and extractive distillation processes.
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- AIChE Journal, 2023, v. 69, n. 12, p. 1, doi. 10.1002/aic.18236
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- Article
Graph machine learning for design of high‐octane fuels.
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- AIChE Journal, 2023, v. 69, n. 4, p. 1, doi. 10.1002/aic.17971
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- Publication type:
- Article
An adaptive refined grid search strategy for assessing operational flexibility and application on refrigerant selection.
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- AIChE Journal, 2022, v. 68, n. 4, p. 1, doi. 10.1002/aic.17566
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- Publication type:
- Article
Group contribution‐based LCA models to enable screening for environmentally benign novel chemicals in CAMD applications.
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- AIChE Journal, 2022, v. 68, n. 3, p. 1, doi. 10.1002/aic.17544
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- Publication type:
- Article
Crystallization solvent design based on a new quantitative prediction model of crystal morphology.
- Published in:
- AIChE Journal, 2022, v. 68, n. 1, p. 1, doi. 10.1002/aic.17499
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- Publication type:
- Article
Machine learning‐based atom contribution method for the prediction of surface charge density profiles and solvent design.
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- AIChE Journal, 2021, v. 67, n. 2, p. 1, doi. 10.1002/aic.17110
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- Article
Integrating superstructure‐based design of molecules, processes, and flowsheets.
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- AIChE Journal, 2020, v. 66, n. 5, p. 1, doi. 10.1002/aic.16903
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- Publication type:
- Article
COSMO-based computer-aided molecular/mixture design: A focus on reaction solvents.
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- AIChE Journal, 2018, v. 64, n. 1, p. 104, doi. 10.1002/aic.15871
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- Publication type:
- Article
Outer approximation algorithm with physical domain reduction for computer-aided molecular and separation process design.
- Published in:
- AIChE Journal, 2016, v. 62, n. 9, p. 3484, doi. 10.1002/aic.15411
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- Publication type:
- Article
Optimal design of solvents for extractive reaction processes.
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- AIChE Journal, 2016, v. 62, n. 9, p. 3238, doi. 10.1002/aic.15360
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- Publication type:
- Article
Mixture design using derivative-free optimization in the space of individual component properties.
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- AIChE Journal, 2016, v. 62, n. 5, p. 1514, doi. 10.1002/aic.15142
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- Publication type:
- Article
A hierarchical method to integrated solvent and process design of physical CO<sub>2</sub> absorption using the SAFT-γ Mie approach.
- Published in:
- AIChE Journal, 2015, v. 61, n. 10, p. 3249, doi. 10.1002/aic.14838
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- Article
Synthetic biology – the state of play.
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- FEBS Letters, 2012, v. 586, n. 15, p. 2029, doi. 10.1016/j.febslet.2012.06.002
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- Publication type:
- Article