Chemical Sciences

Parent: Energy Sciences

eScholarship stats: History by Item for March through June, 2026

ItemTitleTotal requests2026-062026-052026-042026-03
1zp2p74wEffects of Fe Electrolyte Impurities on Ni(OH)2/NiOOH Structure and Oxygen Evolution Activity1,201410297265229
94m2f63gThe birth and evolution of solvated electrons in the water833108199358168
3vn3k818The Counterintuitive Relationship between Orbital Energy, Orbital Overlap, and Bond Covalency in CeF6 2– and CeCl6 2–826123113373217
89m8c19dStrain fields in twisted bilayer graphene798226190245137
58x2x8r5White paper on light sterile neutrino searches and related phenomenology768125180170293
3dj562gwRecent Advances for Improving the Accuracy, Transferability, and Efficiency of Reactive Force Fields746190193195168
2dg6v4xvOn the choice of reference orbitals for linear-response calculations of solution-phase K-edge X-ray absorption spectra737198221169149
8mg429w9From Intermolecular Interaction Energies and Observable Shifts to Component Contributions and Back Again: A Tale of Variational Energy Decomposition Analysis700204205160131
1764r09qStrong Field Ionization of Water II: Electronic and Nuclear Dynamics En Route to Double Ionization689560474735
6p29w1vcLocal electronic structure of histidine in aqueous solution686585047450
3jh2443hMagic Numbers and Stabilities of Photoionized Water Clusters: Computational and Experimental Characterization of the Nanosolvated Hydronium Ion681205197170109
99c9p045Single photon induced symmetry breaking of H2 dissociation6753082009275
4xd8n8q3Propane Dehydrogenation Catalyzed by Isolated Pt Atoms in ≡SiOZn–OH Nests in Dealuminated Zeolite Beta673196195155127
8mn7b4zfWater at Interfaces665211170174110
6st4b6svOctahedral Distortions Generate a Thermally Activated Phonon-Assisted Radiative Recombination Pathway in Cubic CsPbBr3 Perovskite Quantum Dots627534556653
9q37x1r7Palladium-Catalyzed Amination of Aryl Halides with Aqueous Ammonia and Hydroxide Base Enabled by Ligand Development6124097214261
8n5931whContinuum Modeling of Porous Electrodes for Electrochemical Synthesis611129187169126
4qg0w271Plasma–liquid interactions: a review and roadmap59414795168184
3m6447z5Technology Roadmap for Flexible Sensors584141130162151
69v906fzA Molecular‐Scale Understanding of Misorientation Toughening in Corals and Seashells57590111243131
7df6638cLearning to evolve structural ensembles of unfolded and disordered proteins using experimental solution data567516741534
32p5659qEvaporation of Water Nanodroplets on Heated Surfaces: Does Nano Matter?55614717214889
50n7g0rbMulti-scale physics of bipolar membranes in electrochemical processes53213516115185
6kr9m638Elucidating the Mechanism for the Reaction of o‑Phthalaldehyde with Primary Amines in the Presence of Thiols53198133146154
7297t9vfωB97X-V: A 10-parameter, range-separated hybrid, generalized gradient approximation density functional with nonlocal correlation, designed by a survival-of-the-fittest strategy520110131154125
3q00h6bbωB97M-V: A combinatorially optimized, range-separated hybrid, meta-GGA density functional with VV10 nonlocal correlation519115155139110
6jf6869jA foundation model for atomistic materials chemistry515112113155135
5q23p874Surface and Interface Control in Nanoparticle Catalysis509118128163100
6gp6b287Operando studies reveal active Cu nanograins for CO2 electroreduction509135129121124
6w66r3vkBackbone-Photodegradable Polymers by Incorporating Acylsilane Monomers via Ring-Opening Metathesis Polymerization50613716111098
10j133qfMechanistic Insights into Co and Fe Quaterpyridine-Based CO2 Reduction Catalysts: Metal–Ligand Orbital Interaction as the Key Driving Force for Distinct Pathways501124145123109
8104w62bSoftware for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package50016415210480
72972402An Algorithm for the Extraction of Tafel Slopes49683164145104
2t118533The Role of Interfaces and Charge for Chemical Reactivity in Microdroplets49113314312590
5tw608h5Ultrafast X‑ray Spectroscopy of Intersystem Crossing in Hexafluoroacetylacetone: Chromophore Photophysics and Spectral Changes in the Face of Electron-Withdrawing Groups4881511539193
73x4k3q4Simple and Accurate One-Body Energy and Dipole Moment Surfaces for Water and Beyond47812115111195
66k3m8h5Evaluating the potential of chelation therapy to prevent and treat gadolinium deposition from MRI contrast agents47513716710170
0w20x1dpNickel–Iron Oxyhydroxide Oxygen-Evolution Electrocatalysts: The Role of Intentional and Incidental Iron Incorporation46814014210680
4mt6j129Generalization of ETS-NOCV and ALMO-COVP Energy Decomposition Analysis to Connect Any Two Electronic States and Comparative Assessment468111127118112
9vd525qwMethods for Theoretical Treatment of Local Fields in Proteins and Enzymes46811712512997
2dm473vbSolubility of Nanocrystalline Cerium Dioxide: Experimental Data and Thermodynamic Modeling45711112013492
7rq9022xProtein C‑GeM: A Coarse-Grained Electron Model for Fast and Accurate Protein Electrostatics Prediction4521121519198
40x5s6pmLinear Combination of Atomic Dipoles to Calculate the Bond and Molecular Dipole Moments of Molecules and Molecular Liquids4471071988062
0kd1p37xA US perspective on closing the carbon cycle to defossilize difficult-to-electrify segments of our economy446101119120106
1b66v7x5Dynamic signatures of electronically nonadiabatic coupling in sodium hydride: a rigorous test for the symmetric quasi-classical model applied to realistic, ab initio electronic states in the adiabatic representation44011814711164
42g8g6mxExploring CO2 reduction and crossover in membrane electrode assemblies4379614710787
7kn5j653Ni Foam-Supported Fe-Doped β‑Ni(OH)2 Nanosheets Show Ultralow Overpotential for Oxygen Evolution Reaction4331121349394
5mq08362Theory and Simulation of Metal–Insulator–Semiconductor (MIS) Photoelectrodes43192128109102
2bd2d8n8Black Drum Fish Teeth: Built for Crushing Mollusk Shells4279212911888
0bv00488Parrotfish Teeth: Stiff Biominerals Whose Microstructure Makes Them Tough and Abrasion-Resistant To Bite Stony Corals4265912116185

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