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· publication by Schrödinger author
Computational Prodrug Design Methodology for Liposome Formulability Enhancement of Small-Molecule APIs
Martin Balouch, Kateřina Storchmannová, František Štěpánek, and Karel Berka
Materials Science
Effect of External Pressure and Quantum State on the Local Magnetization of Germanium Layers: Ab Initio Calculation
Aleksei Vasilievich Goncharov, Chibisov Andrey Nikolaevich
Materials Science
Ionic liquid as an effective green inhibitor for acid corrosion of aluminum composite: experimental and theoretical considerations
Namitha Kedimar, Padmalatha Rao & Suma A. Rao
Materials Science
Synthesis of indole-based chromophores with a tricyanofuranyl acceptor and the study of the effect of the quinoxalinone core in the -electron bridge on the linear and nonlinear optical properties
Liliya N. Islamova, Alexey A. Kalinin, Polina V. Lebedeva, Guzel M. Fazleeva, Olga D. Fominykh and Marina Yu. Balakinaa
Materials Science
·Molecular Simulations of Low-Shrinkage Dental Resins Containing Methacryl-Based Polyhedral Oligomeric Silsesquioxane (POSS)
Chandra Mouli R. Madhuranthakam, Sudharsan Pandiyan and Ali Elkamel
Materials Science
Tuning Nitrogen-Doped Carbon Electrodes via Synthesis Temperature Adjustment to Improve Sodium-and Lithium-Ion Storage
Yuliya V. Fedoseeva, Elena V. Shlyakhova, Anna A. Vorfolomeeva, Mariya A. Grebenkina, Vitalii I. Sysoev, Svetlana G. Stolyarova, Evgeny A. Maksimovskiy, Anna A. Makarova, Alexander V. Okotrub and Lyubov G. Bulusheva
Materials Science
Elementary Decomposition Mechanisms of Lithium Hexafluorophosphate in Battery Electrolytes and Interphases
Evan Walter Clark Spotte-Smith, Thea Bee Petrocelli, Hetal D. Patel, Samuel M. Blau, and Kristin A. Persson
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
Multiscale calculation of carrier mobility in organic solids through the fine-tuned kinetic Monte Carlo simulation
Gyubong Kim
Materials Science
A Molecular-Switch-Embedded Organic Photodiode for Capturing Images against Strong Backlight
Mingyun Kang, Syed Zahid Hassan, Seong-Min Ko, Changwon Choi, Juhee Kim, Santosh K. R. Parumala, Yun-Hi Kim, Yun Hee Jang, Jinhwan Yoon, Dong-Woo Jee, Dae Sung Chung
Materials Science
Dense Local Triplet States and Steric Shielding of a Multi-Resonance TADF Emitter Enable High-Performance Deep-Blue OLEDs
Hyung-Jin Cheon, Seung-Je Woo, Seung-Hyun Baek, Jeong-Hwan Lee, Yun-Hi Kim
Materials Science
Theoretical predictions of nonlinear optical characteristics of Y-type chromophores with quinoxaline moieties in a bridge
Alina I. Levitskay, Alexey A. Kalinin, Anastasiya V.Sharipova, Olga D.Fominykh, Marina Yu. Balakina