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Ab-initio simulation of liquid water without artificial high temperature
Comprehending the structure and dynamics of water is crucial in various fields such as water desalination, ion separation, electrocatalysis, and biochemical processes. While... -
Mechanism of C-N bonds formation in electrocatalytic urea production revealed...
Electrosynthesis of urea from CO<sub>2</sub> and NO<sub>X</sub> provides an exceptional opportunity for human society, given the increasingly available... -
The dynamic diversity and invariance of ab-initio water
Comprehending water dynamics is crucial in various fields such as water desalination, ion separation, electrocatalysis, and biochemical processes. While ab-initio molecular... -
The dynamic diversity and invariance of ab-initio water
Comprehending water dynamics is crucial in various fields such as water desalination, ion separation, electrocatalysis, and biochemical processes. While ab-initio molecular... -
Efficient Training of ANN Potentials by Including Atomic Forces via Taylor Ex...
This data set contains atomic structures of water clusters, bulk water and rock-salt Li8Mo2Ni7Ti7O32 in the XCrySDen [1] structure format (XSF), and total energies are included... -
In situ spectroelectrochemical probing of CO redox landscape on copper single...
Electrochemical reduction of CO(2) to value-added chemicals and fuels is a promising strategy to sustain pressing renewable energy demands and address climate change issues.... -
Electronic supporting information to Maste et al. - The Accuracy Limit of Che...
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