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· publication by Schrödinger author
Photophysical Properties of Cyclometalated Platinum(II) Diphosphine Compounds in the Solid State and in PMMA Films
Belle Coffey, Lily Clough, Daphne D. Bartkus, Ian C. McClellan, Matthew W. Greenberg, Christopher N. LaFratta, Joseph M. Tanski, and Craig M. Anderson
Materials Science
Achieving Narrow FWHM and High EQE Over 38% in Blue OLEDs Using Rigid Heteroatom-Based Deep Blue TADF Sensitized Host
Ramanaskanda Braveenth, Hyuna Lee, Jae Doh Park, Ki Joon Yang, Soon Jae Hwang, Kenkera Rayappa Naveen, Raju Lampande, Jang Hyuk Kwon
Materials Science
Modular Synthesis of Fully Degradable Imine-Based Semiconducting p-Type and n-Type Polymers
Helen Tran, Shayla Nikzad, Jerika A. Chiong, Nathaniel J. Schuster, Amnahir E. Peña-Alcántara, Vivian R. Feig, Yu-Qing Zheng, and Zhenan Bao
Materials Science
Systematic Designs of Dicationic Heteroarylpyridiniums as Negolytes for Nonaqueous Redox Flow Batteries
Seongmo Ahn, Jin Hyeok Jang, Jungtaek Kang, Moony Na, Jia Seo, Vikram Singh, Jung Min Joo, and Hye Ryung Byon
Materials Science
The effect of the electron-donor ability on the OLED efficiency of twisted donor-acceptor type emitters
DongwookYang, Jae-MinKim, Jin-SukHuh, Jang-JooKim, Jong-In Hong
Materials Science
Enhancement of Reverse Intersystem Crossing in Charge-Transfer Molecule through Internal Heavy Atom Effect
Hyung Suk Kim, Ja Yeon Lee, Seongjun Shin, Wonkyo Jeong, Sang Hoon Lee, Seonghyeon Kim, Jihoon Lee, Min Chul Suh, Seunghyup Yoo
Materials Science
Dihedral Angle Distribution of Thermally Activated Delayed Fluorescence Molecules in Solids Induces Dual Phosphorescence from Charge-Transfer and Local Triplet States
Seung-Je Woo, Yun-Hi Kim, and Jang-Joo Kim
Materials Science
Rotational Isomerism of an Amide Substituted Squaraine Dye: A Combined Spectroscopic and Computational Study
Andreas T. Rösch, Serge H. M. Söntjens, Jorn Robben, Anja R. A. Palmans, and Tobias Schnitzer
Materials Science
·Accelerated design and optimization of novel OLED materials via active learning
Hadi Abroshan, Anand Chandrasekaran, Paul Winget, Yuling An, Shaun Kwak, Christopher Brown, Mathew D. Halls
Materials Science
·Pseudospectral Implementations of Long-Range Corrected (PS-LRC) Density Functional Theory
Yixiang Cao, Mathew D. Halls, Tati Reddy Vadicherla, Richard A. Friesner
Materials Science
Highly Efficient Solution-Processed Organic Light-Emitting Diodes Containing a New Cross-linkable Hole Transport Material Blended with Commercial Hole Transport Materials
Hyein Ha, Young Jae Shim, Da Hwan Lee, Eun Young Park, In-Ho Lee, Seok-Keun Yoon, and Min Chul Suh
Materials Science
·De Novo Design of Molecules with Low Hole Reorganization Energy Based on a Quarter-Million Molecule DFT Screen
Gabriel Marques, Karl Leswing, Tim Robertson, David Giesen, Mathew D. Halls, Alexander Goldberg, Kyle Marshall, Joshua Staker, Tsuguo Morisato, Hiroyuki Maeshima, Hideyuki Arai, Masaru Sasago, Eiji Fujii, and Nobuyuki N. Matsuzawa