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Inorganic Chemistry

Chirality and accurate structure models by exploiting dynamical effects in continuous-rotation 3D ED data

Paul Klar, Yasar Krysiak, Hongyi Xu, Gwladys Steciuk, Jung Cho, Xiaodong Zou, Lukas Palatinus

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Theoretical and Computational Chemistry

Predicting the excited-state properties of crystalline organic semiconductors using GW+BSE and machine learning

Siyu Gao, Yiqun Luo, Xingyu Liu, Noa Marom

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Energy

Practical pathways to higher energy density LMFP battery cathodes

Gerard Bree, Jingyi Zhao, Veronika Majherova, Daniela Proprentner, Galo J. Paez Fajardo, Louis F. J. Piper

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Materials Science

Machine Learning in X-ray Scattering for Materials Discovery and Characterization

Connor Davel, Nazanin Bassiri-Gharb, Juan-Pablo Correa-Baena

201

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Materials Science

Implementing recyclable bio- and CO2-sourced synergetic dynamic matrices via precise control of curing and properties for natural fiber composites within industrially relevant resin transfer molding

Guillem Seychal, Bernard Miranda Campos, Gabriel Perli, Vincent Placet, Bruno Grignard, Fanny Bonnet, Christophe Detrembleur, Haritz Sardon, Nora Aranburu, Jean-Marie Raquez

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Materials Science

Atomic Energy Accuracy of Neural Network Potentials: Harnessing Pre-training and Transfer Learning

Gang Seob Jung

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Materials Science

Influence of the Substrate in the On-surface Synthesis and Air Stability of 1D Metal-Organic Oligomers

José María Gómez Fernández, José Ignacio Martínez, Jorge Manuel Zamalloa-Serrano, Teresa Naranjo, Carmen García López-Calixto, Luca Schio, Luca Floreano, Irene Palacio, Víctor Antonio de la Peña O'Shea, Marta Liras, José Ángel Martin-Gago, María Francisca López, Carlos Sánchez-Sánchez

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Materials Science

The Effect of Electric Field on the Frontier Orbitals of Organic Small Molecules: DFT Studies of Triphenylamine Derivatives

Benjamin Parks, Lichang Wang

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Energy

Fast-charging lithium-ion battery protocols: LMFP pouch cells as a rate capability case study

Gerard Bree, Veronika Majherova, Eleni Fiamegkou, Sanghamitra Moharana, Louis F. J. Piper

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Materials Science

Transforming carbon dioxide into high-value chemicals via sustainable solid oxide electrochemical reactor

Nai Shi, Xueyu Hu, Yun Xie, Shaowei Zhang, Junji Hyodo, Kang Zhu, Zongping Shao, Yoshihiro Yamazaki

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Materials Science

Screening of Lanthanum-Based Perovskites for the Oxygen Evolution Reaction at Industrial Conditions for Alkaline Water Electrolysis

Fabian Luca Buchauer, Søren Bredmose Simonsen, Mie Engelbrecht Jensen, Ivano Eligio Castelli, Christodoulos Chatzichristodoulou

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Chemical Engineering and Industrial Chemistry

Chemical degradations of kraft pulp carbohydrates molar mass distributions and their consequences on fibres strength

Etienne Montet, Dominique Lachenal, Christine Chirat

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Materials Science

Mutual Information Informed Novelty Estimation of Materials Along Chemical and Structural Axes

Andrew Falkowski, Taylor Sparks

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Materials Science

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Effects of molecular design parameters on plasticizer performance in poly(vinyl chloride): a comprehensive molecular simulation study

Most Cited

Chirality and accurate structure models by exploiting dynamical effects in continuous-rotation 3D ED data

Latest Content Latest Content

Predicting the excited-state properties of crystalline organic semiconductors using GW+BSE and machine learning

Practical pathways to higher energy density LMFP battery cathodes

Machine Learning in X-ray Scattering for Materials Discovery and Characterization

Implementing recyclable bio- and CO2-sourced synergetic dynamic matrices via precise control of curing and properties for natural fiber composites within industrially relevant resin transfer molding

Atomic Energy Accuracy of Neural Network Potentials: Harnessing Pre-training and Transfer Learning

Influence of the Substrate in the On-surface Synthesis and Air Stability of 1D Metal-Organic Oligomers

The Effect of Electric Field on the Frontier Orbitals of Organic Small Molecules: DFT Studies of Triphenylamine Derivatives

Fast-charging lithium-ion battery protocols: LMFP pouch cells as a rate capability case study

Transforming carbon dioxide into high-value chemicals via sustainable solid oxide electrochemical reactor

Screening of Lanthanum-Based Perovskites for the Oxygen Evolution Reaction at Industrial Conditions for Alkaline Water Electrolysis

Chemical degradations of kraft pulp carbohydrates molar mass distributions and their consequences on fibres strength

Mutual Information Informed Novelty Estimation of Materials Along Chemical and Structural Axes

Latest Content