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· publication by Schrödinger author
·High-Dimensional Neural Network Potential for Liquid Electrolyte Simulations
Steven Dajnowicz, Garvit Agarwal, James M. Stevenson, Leif D. Jacobson, Farhad Ramezanghorbani, Karl Leswing, Richard A. Friesner, Mathew D. Halls, and Robert Abel
Materials Science
A New Luminescent Ordered Liquid Crystalline Molecules with a 3-Cyano-2-pyridone Core Unit
Deepak Devadiga, Ahipa TN, Bhat S. Vanishree and Sandeep Kumar
Materials Science
Pyrene-based chalcones as functional materials for organic electronics application
Sneha Kagatikar, Dhanya Sunil, Dhananjaya Kekuda, M.N. Satyanarayana, Suresh D. Kulkarni, Y.N. Sudhakar, Anoop Kishor Vatti, Aditya Sadhanala
Materials Science
Enhancing Horizontal Ratio of Transition Dipole Moment in Homoleptic Ir Complexes for High Outcoupling Efficiency of Organic Light-Emitting Diodes
Jae-Min Kim, Kyu Young Hwang, Sungmin Kim, Junseop Lim, Byungjoon Kang, Kum Hee Lee, Byoungki Choi, Seung-Yeon Kwak, Jun Yeob Lee
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
·Plasticity in ligand recognition at somatostatin receptors
Michael J. Robertson, Justin G. Meyerowitz, Ouliana Panova, Kenneth Borrelli & Georgios Skiniotis
Small Molecule Drug Discovery
Control of the horizontal dipole ratio and emission color of deep blue tetradentate Pt(II) complexes using aliphatic spacer groups
Jin-Suk Huh, Da Yeon Lee, Kwang Hun Park, Soon-Ki Kwon, Yun-Hi Kim, Jang-Joo Kim
Materials Science
Cibalackrot Dendrimers for Hyperfluorescent Organic Light-Emitting Diodes
Nicholle R. Wallwork, Masashi Mamada, Angus B. Keto, Sarah K. M. McGregor, Atul Shukla, Chihaya Adachi, Elizabeth H. Krenske, Ebinazar B. Namdas, Shih-Chun Lo
Materials Science
Rational understanding of substituent effects on multi carbazole thermally activated delayed fluorescence emitters
Jingwan Kim, Chul Woong Joo, Seung-Je Woo, Jiyong Park, Jonghee Lee and Yun-Hi Kim
Materials Science
Optical Configuration Effect on the Structure and Reactivity of Diastereomers Revealed by Spin Effects and Molecular Dynamics Calculations
Aleksandra A Ageeva, Alexander B Doktorov, Olga Yu Selyutina, Ilya M Magin, Margarita G Ilyina, Sophia S Borisevich, Ruslan Yu Rubtsov, Sergey L Khursan, Alexander A Stepanov, Sergey F Vasilevsky, Nikolay E Polyakov, Tatyana V Leshina
Materials Science
Template-free reaction networks enable predictive and automated analysis of complex electrochemical reaction cascades
Daniel Barter, Evan Walter Clark Spotte-Smith, Nikita S. Redkar, Shyam Dwaraknath, Kristin A. Persson, and Samuel M. Blau
Materials Science
Understanding the Effects of Interfacial Lithium Ion Concentration on Lithium Metal Anode
Jimin Park, Son Ha, Jae Young Jung, Jae-Hwan Hyun, Seung-Ho Yu, Hyung-Kyu Lim, Nam Dong Kim, and Young Soo Yun