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· publication by Schrödinger author
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
Light emission mechanism in dimers of carbene–metal–amide complexes†
Armands Ruduss, Sergey Belyakov, Kitija A. Stucere, Aivars Vembris and Kaspars Traskovskis
Materials Science
n-Type naphthalimide-indole derivative for electronic applications
Yogeesh MJP, Sneha Kagatikar, Dhanya Sunil & Dhananjaya Kekuda
Materials Science
Multiscale calculation of carrier mobility in organic solids through the fine-tuned kinetic Monte Carlo simulation
Gyubong Kim
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 Kishore Vatti, Aditya Sadhanala
Materials Science
Efficient pure blue hyperfluorescence devices utilizing quadrupolar donor-acceptor-donor type of thermally activated delayed fluorescence sensitizers
Hyuna Lee, Ramanaskanda Braveenth, Subramanian Muruganantham, Chae Yeon Jeon, Hyun Seung Lee & Jang Hyuk Kwon
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
Whole-cell Mediated Carboxylation of 2-Furoic Acid Towards the Production of Renewable Platform Chemicals and Biomaterials
Ximena Lopez-Lorenzo, Heba Asem, Arne Stamm, Sathiyaraj Subramaniyan, Minna Hakkarainen, and Per-Olof Syrén
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
· Development of Scalable and Generalizable Machine Learned Force Field for Polymers
Shaswat Mohanty, James Stevenson, Andrea Browning, Leif Jacobson, Karl Leswing, Mathew Halls, Mohammad Atif Faiz Afzal
Materials Science
Rational Design of Hydrogels for Cationic Antimicrobial Peptide Delivery: A Molecular Modeling Approach
Alfredo Pereira, Elizabeth Valdés-Muñoz, Adolfo Marican, Gustavo Cabrera-Barjas, Sekar Vijayakumar, Oscar Valdés, Diana Rafael, Fernanda Andrade, Paulina Abaca, Daniel Bustos, Esteban F.