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· publication by Schrödinger author
One-Pot Chemo-bioprocess of PET Depolymerization and Recycling Enabled by a Biocompatible Catalyst, Betaine
Kim, D.H.; Han, D.O.; Shim, K.I.; Kim, J.K.; Pelton, J.G.; Ryu, M.H.; Joo, J.C.; Han, J.W.; Kim, H.T.; Kim, K.H.
Materials Science
Ultrathin and Bifunctional Polymer-Nanolayer-Embedded Separator to Simultaneously Alleviate Li Dendrite Growth and Polysulfide Crossover in Li–S Batteries
Lim, W-G.; Oh, S.; Jeong, J.; Jang, W.; Shim, K.I.; Kim, S.; Han, J.W.; Im, S.G.; Lee, J.
Materials Science
Highly Efficient Deep Blue Phosphorescent OLEDs Based on Tetradentate Pt(II) Complexes Containing Adamantyl Spacer Groups
Huh, J-S.; Sung, M.J.; Kwon, S-K.; Kim, Y-H.; Kim, J-J.
Materials Science
TD-DFT and Experimental Methods for Unraveling the Energy Distribution of Charge-Transfer Triplet/Singlet States of a TADF Molecule in a Frozen Matrix
Woo, S-J.; Kim, J-J.
Materials Science
A quantitative evaluation of computational methods to accelerate the study of alloxazine-derived electroactive compounds for energy storage
Zhang, Q., Khetan, A., Er, S.
Materials Science
Computational Investigations of the Lithium Superoxide Dimer Rearrangement on Noisy Quantum Devices
Gao, Q.; Nakamura, H.; Gujarati, T.P.; Jones, G.O.; Rice, J.E.; Wood, S.P.; Pistoia, M.; Garcia, J.M.; Yamamoto, N.
Materials Science
Thermal Atomic Layer Etching of Aluminum Oxide (Al2O3) Using Sequential Exposures of Niobium Pentafluoride (NbF5) and Carbon Tetrachloride (CCl4): A Combined Experimental and Density Functional Theory Study of the Etch Mechanism
Varun Sharma, Simon D. Elliott, Tom Blomberg, Suvi Haukka, Michael E. Givens, Marko Tuominen, and Mikko Ritala
Materials Science
Quenching-Resistant Solid-State Photoluminescence of Graphene Quantum Dots: Reduction of π−π Stacking by Surface Functionalization with POSS, PEG, and HDA
Park, M.; Jeong, Y.; Kim, H.S.; Lee, W.; Nam, S. H.; Lee, S.; Yoon, H.; Kim, J.; Yoo, S.; Jeon, S.
Materials Science
CN-substituted ortho-terphenyl core based high triplet energy bipolar host materials for stable and efficient blue TADF devices
Lee, H.; Park, J.H.; Yang, K.J.; Hwang, S.J.; Braveenth, R.; HA, T.H.; Han, M.I.; Lee, C.W.; Kwon, J.H.
Materials Science
OPLS4: Improving Force Field Accuracy on Challenging Regimes of Chemical Space
Lu C.; Wu C.; Ghoreishi D.; Chen W.; Wang L.; Damm W.; Ross G.A.; Dahlgren M.K.; Russell E.; Von Bargen C.D.; Abel R.; Friesner R.A.; and Harder E.D.
Materials Science
Small Molecule Drug Discovery
Biologics Drug Discovery
·Quantifying the Extent of Ligand Incorporation and the Effect on Properties of TiO2 Thin Films Grown by Atomic Layer Deposition Using an Alkoxide or an Alkylamide
Dufond, M.E.; Diouf, M.W.; Badie, C.; Laffon, C.; Parent, P.; Ferry, D.; Grosso, D.; Kools, J.C.S.; Elliott, S.D.; Santinacci, L.
Materials Science
Molecular Stacking Effect in Small-Molecular OLEDs Prepared with Solution Process
Lee, J.Y.; Kim, J.; Kim, H.; Min Suh, M.C.