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· publication by Schrödinger author
Partial Oxidation of Methane Enabled by Decatungstate Photocatalysis Coupled to Free Radical Chemistry
Charles B. Musgrave III, Kaeleigh Olsen, Nichole S. Liebov, John T. Groves*, William A. Goddard III*, and T. Brent Gunnoe*
Materials Science
·High-Throughput Screening of Hole Transport Materials for Quantum Dot Light-Emitting Diodes
Hadi Abroshan*, H. Shaun Kwak, Anand Chandrasekaran, Alex K. Chew, Alexandr Fonari, and Mathew D. Halls
Materials Science
Molecular orientation-dependent energetic shifts in solution-processed non-fullerene acceptors and their impact on organic photovoltaic performance
Yuang Fu, Tack Ho Lee, Yi-Chun Chin, Richard A. Pacalaj, Chiara Labanti, Song Yi Park, Yifan Dong, Hye Won Cho, Jin Young Kim, Daiki Minami, James R. Durrant & Ji-Seon Kim
Materials Science
Computational Prodrug Design Methodology for Liposome Formulability Enhancement of Small-Molecule APIs
Martin Balouch, Kateřina Storchmannová, František Štěpánek, and Karel Berka
Materials Science
Antibacterial, Antioxidant, and in silico NADPH Oxidase Inhibition Studies of Essential Oils of Lavandula dentata against Foodborne Pathogens
"Youness El Abdali, Ghada Beniaich, Adil M. Mahraz, Abdelfattah El Moussaoui, Yousef A. Bin Jardan, Mohamed Akhazzane, Mohamed Chebaibi, Hiba-Allah Nafdi, Noureddine Eloutassi, Mohammed Bourhia, and Abdelhak Bouia"
Materials Science
Construction of Bio-conjugated nano-vesicles using non-ionic surfactants for targeted drug delivery: A computational supported experimental study
Alireza Poustforoosh, Sanaz Farmarz, Mohammad Hadi Nematollhi, Hassan Hashemipour, Abbas Pardakhty
Materials Science
Drug-Carrier Miscibility in Solid Dispersions of Glibenclamide and a Novel Approach to Enhance Its Solubility Using an Effervescent Agent
Muralidhar Pisay, K. Vijaya Bhaskar, Chetan Hasmukh Mehta, Usha Yogendra Nayak, Kunnatur Balasundara Koteshwara & Srinivas Mutalik
Materials Science
Structural basis for strychnine activation of human bitter taste receptor TAS2R46
Weixiu Xu, Lijie Wu, Shenhui Liu, Xiao Liu, Xiaoling Cao, Cui Zhou, Jinyi Zhang, You Fu, Yu Guo, Yiran Wu, Qiwen Tan, Ling Wang, Junlin Liu, Longquan Jiang, Zhongbo Fan, Yuan Pei, Jingyi Yu, Jianjun Cheng, Suwen Zhao, Xiaojiang Hao, Zhi-Jie Liu, Tian Hua
Materials Science
Schiff base as n-type semiconductor: synthesis, characterization, and diode features
Sneha Kagatikar, Dhanya Sunil & Dhananjaya Kekuda
Materials Science
Design of Molecules with Low Hole and Electron Reorganization Energy Using DFT Calculations and Bayesian Optimization
Tatsuhito Ando, Naoto Shimizu, Norihisa Yamamoto, Nobuyuki N. Matsuzawa, Hiroyuki Maeshima, and Hiromasa Kaneko
Materials Science
Boronic Acid-Based n-Type Semiconductor for Electronic Device Application
Sneha Kagatikar, Dhanya Sunil, Dhananjaya Kekuda, M. N. Satyanarayana, Suresh D. Kulkarni & Chaya Karkera
Materials Science
·De Novo Design of Molecules with Low Hole Reorganization Energy Based on a Quarter-Million Molecule DFT Screen: Part 2
Joshua Staker, Kyle Marshall, Karl Leswing, Tim Robertson, Mathew D. Halls, Alexander Goldberg, Tsuguo Morisato, Hiroyuki Maeshima, Tatsuhito Ando, Hideyuki Arai, Masaru Sasago, Eiji Fujii, and Nobuyuki N. Matsuzawa