- Publication
- Jun 28, 2019
Effects of Lewis Acidic Metal Ions (M) on Oxygen-Atom Transfer Reactivity of Heterometallic Mn3MO4 Cubane and Fe3MO(OH) and Mn3MO(OH) Clusters
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- Jun 28, 2019
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Nam, et al. Applied Surface Science, 2019, 485, 381-390- Publication
- Jun 28, 2019
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- Jun 28, 2019
Rapid Multiscale Computational Screening for OLED Host Materials
Sylvinson M. R., et al. ACS Appl. Mater. Interfaces, 2019, 11(5), 5276-5288- Publication
- Jan 1, 2019
Estimation of electron and hole mobility of 50 homogeneous fullerene amorphous structures (C60, C58B2, C58N2 and C58NB) using a percolation corrected Marcus theory model
Goldberg, et al. Org. Electron., 2019, 105571, In Press- Publication
- Oct 17, 2018
Toward the Rational Design of Sustainable Hair Dyes Using Cheminformatics Approaches: Step 2. Identification of Hair Dye Substance Database Analogs in the Max Weaver Dye Library
Williams, et al. ACS Sustainable Chem. Eng., 2018, DOI: 10.1021/acssuschemeng.8b02882- Publication
- Sep 20, 2018
Bitter or not? BitterPredict, a tool for predicting taste from chemical structure
Dagan-Wiener, et al. Scientific Reports, 2017, 7(12074), 12074- Publication
- Sep 10, 2018
The effects of competitive primary and secondary amine reactivity on the structural evolution and properties of an epoxy thermoset resin during cure: A molecular dynamics study
Estridge, et al. J. Polymer., 2018, 141, 12 – 20- Publication
- Jun 12, 2018
Theoretical predictions on microphase separation in polyurethane: Combinatorial design, synthesis and demonstration of shape memory property.
Erekkath, et al. Mater. Today, 2018, 16, 71-81- Publication
- Jun 12, 2018
Fluorophores based on a minimal thienylthiazole core: towards multifunctional materials with solid state red emissions, solvatochromism and AIE behaviour
Radhakrishnan, et al. RSC Adv., 2016, 39, 32705-32709- Publication
- Jun 7, 2018
Exploring the enantiorecognition mechanism of Cinchona alkaloid-based zwitterionic chiral stationary phases and the basic trans-paroxetine enantiomers
Sardella, et al. J. Sep. Sci., 2017, 41(6), 1199-1207- Publication
- Mar 5, 2018
Automated Transition State Search and Its Application to Diverse Types of Organic Reactions
Jacobson, et al. J. Chem. Theory Comput., 2017, 13 (11), 5780-5797Latest insights from Extrapolations blog
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