Results 161 to 170 of about 4,653 (259)

Geometry‐Based Neural‐Network Prediction of Electron Localization Function Topology in Dense Hydrogen

Chemistry – A European Journal, EarlyView.
We present a machine‐learning framework that predicts the electron localization function (ELF) of dense hydrogen directly from atomic geometry, bypassing explicit electronic‐structure calculations. Trained on ab initio data for fluid hydrogen across multiple pressures, the model achieves high accuracy and reveals pressure‐dependent nonlocal ...
Xiaoyu Wang, Miriam Marqués, Sergio Gómez, Francesc Serratosa, Eva Zurek, Julia Contreras‐García   +5 more
wiley   +1 more source

Titan's organic world. [PDF]

Nat Commun
de Batz de Trenquelléon B.
europepmc   +1 more source

Mechanochemical Amidation Mediated by 1,1’‐Oxalyldiimidazole for the Synthesis of Agrochemicals

Chemistry – A European Journal, EarlyView.
Mechanochemical amidation using 1,1'‐oxalyldiimidazole (ODI) overcomes limitations of 1,1’‐carbonyl diimidazole (CDI) as coupling agent by enabling the efficient mechanochemical synthesis of three marketed agrochemicals from deactivated carboxylic acids.
Andrea Casagrande, Rubén Solorzano‐Rodriguez, Maria Carta, Francesco Delogu, Joris Vezzani, Allan Niidu, Evelina Colacino   +6 more
wiley   +1 more source

Hydrogen-carbon doubly superionic conduits of carbonic acids in planetary ices. [PDF]

Sci Adv
Deng J, Gou H, Hu Q.
europepmc   +1 more source

Automated Process Optimization in a Novel Triple Shaft Mixer with Adaptive Mixing Modes

Chemie Ingenieur Technik, EarlyView.
A novel multi‐purpose mixer with adjustable blade angle and a coaxial stirrer is developed, providing three degrees of freedom. An optimization strategy is integrated to autonomously identify optimal operating conditions through automated tests. The current draw of the main stirrer serves as the optimization criterion, while stirrer speeds, directions,
B. Schwarz, H. Kniele, J. A. Lindner
wiley   +1 more source

Exploring exoplanet dynamics with JWST: Tides, rotation, rings, and moons. [PDF]

Proc Natl Acad Sci U S A
Millholland SC, Winn JN.
europepmc   +1 more source

Chemical engineering as an essential element of industrial biotechnology in Mexico: New aims in research and university education

The Canadian Journal of Chemical Engineering, EarlyView.
Abstract On the centennial of higher education in Chemical Engineering in Mexico, it is pertinent to revisit the key stages that have contributed to its consolidation as a vital discipline for the nation's scientific and technological advancement. Although the initial mission of chemical engineering education was primarily oriented toward the training ...
Agustín López Munguía, Octavio T. Ramírez, Rafael Vazquez‐Duhalt, Eduardo Bárzana   +3 more
wiley   +1 more source

The Sun as a driver of the inner heliosphere: Modern investigations of fundamental plasma processes. [PDF]

Nat Commun
Ervin T, Nakhleh AJ, Bharati Das S.
europepmc   +1 more source

Clathrate hydrate crystallization

The Canadian Journal of Chemical Engineering, EarlyView.
Abstract Clathrate hydrate crystallization has been an area of interest to chemical engineers from the point of view of crystal structure, thermophysical properties, phase equilibria, kinetics, industrial applications, and environmental (climate change) implications.
Peter Englezos
wiley   +1 more source

Coupled sulfur-silicon isotopes reveal supracrustal origin of Archean continents. [PDF]

Nat Commun
Shang K, Zhang J, Wang Z, Cawood I, Cui Y, Li M, Chang R, Shen Y, Zhao G.   +8 more
europepmc   +1 more source