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Chemical Engineering and Industrial Chemistry

Room-Level Ventilation in Schools and Universities

V. Faye McNeill, Richard Corsi, J. Alex Huffman, Do Young Maeng, Cathleen King, Robert Klein, Michael Lamore, Shelly Miller, Nga Lee Ng, Paula Olsiewski, Krystal Pollitt, Rachel Segalman, Alex Sessions, Todd Squires, Sabrina Westgate

Theoretical and Computational Chemistry

Scalable Constant pH Molecular Dynamics in GROMACS

Noora Aho, Pavel Buslaev, Anton Jansen, Paul Bauer, Gerrit Groenhof, Berk Hess

Biological and Medicinal Chemistry

An Interpretable Machine Learning model for Selectivity of Small Molecules against Homologous Protein Family

Sarveswara Rao Vangala, Navneet Bung, Sowmya Ramaswamy Krishnan, Arijit Roy

Theoretical and Computational Chemistry

Poisoning density functional theory with benchmark sets of difficult systems

Tim Gould, Stephen Dale

Rate Expressions in Mean Field Microkinetic Models Incorporating Multiple Types of Active Sites

Gregory Collinge, Devyani Sharma, Jean-Sabin McEwen, Mark Saeys

Organic Chemistry

Sterically Frustrated Aromatic Enes with Various Colors Originating from Multiple Folded and Twisted Conformations in Crystal Polymorphs

Tomohiko Nishiuchi, Seito Aibara, Takuya Yamakado, Ryo Kimura, Shohei Saito, Hiroyasu Sato, Takashi Kubo

Materials Chemistry

Elucidating the germanium distribution in ITQ-13 zeolites by density functional theory

Michael Fischer, Carlos Bornes, Luís Mafra, João Rocha

Not that innocent – ammonium ions boost homogeneous light-driven hydrogen evolution

Magdalena Heiland, Ratnadip De, Sven Rau, Benjamin Dietzek-Ivanšić, Carsten Streb

Polymer Science

The relationship between gel mesh and particle size in determining nanoparticle diffusion in hydrogel nanocomposites

Paige Moncure, Zoe Simon, Jill Millstone, Jennifer Laaser

Organic Chemistry

Shape-Assisted Self-Assembly

Joseph F. Woods, Lucía Gallego, Pauline Pfister, Mounir Maaloum, Andreas Vargas Jentzsch, Michel Rickhaus

The Ir–OOOO–Ir Transition State and the Mechanism of the Oxygen Evolution Reaction on IrO2(110)

Tobias Binninger, Marie-Liesse Doublet

Materials Chemistry

Dark Sulfur: Quantifying unpolymerized sulfur in inverse vulcanized polymers

Joseph Dale, Samuel Petcher, Tom Hasell

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