Quantum‐Trained AI Enables Inverse Design of Organic Frontier Orbitals at Billion‐Scale
Advanced Science, EarlyView.Quantum‐trained AI links molecular substructures to frontier‐orbital energetics and enables interpretable screening across nearly one billion GDB‐13 molecules. By combining fragment‐ and ring‐level insights with donor–acceptor energy alignment against ITIC, the framework narrows an immense chemical space to a small set of promising candidates and ...
Yeongnam Ko, Se Jin Kim, Ki Chul Kim
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The standard Gibbs free energy change of hydrolysis of ribose-1-phosphate
, 1980 The standard Gibbs free energy change of hydrolysis of α-d-ribose 1-phosphate has been measured at pH 7.0, ionic strength 0.1 m, and 25 °C by combining the corresponding values of the two following reactions: adenosine + H2O ág adenine + ribose (ΔG0′ = −
IPATA P. L. +3 more
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The Generation of Wind Velocity via Scale Invariant Gibbs Free Energy: Turbulence Drives the General Circulation. [PDF]
Entropy (Basel)Tuck AF.
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Lattice Chloride Shielding and Reconstructed Phosphate Armor for Stable Seawater Electrolysis
Advanced Science, EarlyView.A dual‐protection strategy integrating lattice Cl shielding with dynamically reconstructed phosphate armor enables selective OH adsorption and suppresses chloride‐induced corrosion during alkaline seawater electrolysis, delivering durable operation at industrial‐level current densities.
Yatao Yan +7 more
wiley +1 more source
Levy flight-assisted hybrid Sine-Cosine Aquila optimizer for solving chemical equilibrium problems through the Gibbs free energy minimization technique. [PDF]
Sci RepTurgut OE +4 more
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Ion‐Exchange‐Driven Ternary Organic Neuromorphic Devices with High Efficiency and Stability
Advanced Science, EarlyView.Spontaneous ion exchange in a ternary polymer–ionic liquid blend disrupts the phase‐separated ionic domains of the binary film and creates a more homogeneous polymer–ion environment. This ionically reorganized matrix enables stable and efficient electrochemical doping, leading to ion‐gel‐gated organic electrochemical transistors with enhanced ...
Sungmin Lee +14 more
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Desolvation Inability of Solid Hydrates, an Alternative Expression for the Gibbs Free Energy of Solvation, and the Myth of Freeze-Drying. [PDF]
Materials (Basel)Tsioptsias C.
europepmc +1 more source
Probabilistic Computing via Gate‐Tunable Random Telegraph Noise
Advanced Science, EarlyView.Intrinsic random telegraph noise in metal–oxide–semiconductor field‐effect transistors is harnessed to create gate‐tunable probabilistic bits. By modulating carrier‐trapping dynamics, the device produces stochastic binary outputs with a continuous bias‐to‐probability transfer.
Gyungwon Yun +8 more
wiley +1 more source
Thermodynamic properties of microorganisms: determination and analysis of enthalpy, entropy, and Gibbs free energy of biomass, cells and colonies of 32 microorganism species. [PDF]
Heliyon, 2019 Popovic M.
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Advanced Science, EarlyView.Based on the anionic Hofmeister effect, a universal strategy of incorporation of stereo‐π anion BPh4− into a series of Cy5 skeletons to unlock long‐lived charge‐separated states was reported, wherein the weak electronic coupling and low charge recombination driving force hinder the charge recombination process, elevating the oxygen‐independent ROS ...
Xuan Zhao +9 more
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