Chemical Sciences

Parent: Energy Sciences

eScholarship stats: Breakdown by Item for May through August, 2026

ItemTitleTotal requestsDownloadView-only%Dnld
1zp2p74wEffects of Fe Electrolyte Impurities on Ni(OH)2/NiOOH Structure and Oxygen Evolution Activity1,37956581441.0%
9wn3w79bAdvances in molecular quantum chemistry contained in the Q-Chem 4 program package1,1371,0389991.3%
5pb2w81tFoundations and strategies of the construction of hybrid catalysts for optimized performances942488945.1%
3vn3k818The Counterintuitive Relationship between Orbital Energy, Orbital Overlap, and Bond Covalency in CeF6 2– and CeCl6 2–89824765127.5%
8mn7b4zfWater at Interfaces85155529665.2%
94m2f63gThe birth and evolution of solvated electrons in the water76454521971.3%
0w20x1dpNickel–Iron Oxyhydroxide Oxygen-Evolution Electrocatalysts: The Role of Intentional and Incidental Iron Incorporation73941132855.6%
2xm6690fProbing 5f-state configurations in URu2Si2 with U LIII-edge resonant x-ray emission spectroscopy6736106390.6%
1764r09qStrong Field Ionization of Water II: Electronic and Nuclear Dynamics En Route to Double Ionization6676175092.5%
8mg429w9From Intermolecular Interaction Energies and Observable Shifts to Component Contributions and Back Again: A Tale of Variational Energy Decomposition Analysis66553513080.5%
99c9p045Single photon induced symmetry breaking of H2 dissociation65914751222.3%
3dj562gwRecent Advances for Improving the Accuracy, Transferability, and Efficiency of Reactive Force Fields65555310284.4%
6p29w1vcLocal electronic structure of histidine in aqueous solution6545639186.1%
2dg6v4xvOn the choice of reference orbitals for linear-response calculations of solution-phase K-edge X-ray absorption spectra6245527288.5%
89m8c19dStrain fields in twisted bilayer graphene61946415575.0%
5q23p874Surface and Interface Control in Nanoparticle Catalysis59534025557.1%
4xd8n8q3Propane Dehydrogenation Catalyzed by Isolated Pt Atoms in ≡SiOZn–OH Nests in Dealuminated Zeolite Beta58338919466.7%
3jh2443hMagic Numbers and Stabilities of Photoionized Water Clusters: Computational and Experimental Characterization of the Nanosolvated Hydronium Ion58147910282.4%
50n7g0rbMulti-scale physics of bipolar membranes in electrochemical processes58041216871.0%
6st4b6svOctahedral Distortions Generate a Thermally Activated Phonon-Assisted Radiative Recombination Pathway in Cubic CsPbBr3 Perovskite Quantum Dots57846411480.3%
0jn39540Navigating the research landscape for hyper-NA EUV lithography and future patterning technologies56725131644.3%
1n55m9r9Crystallization by particle attachment in synthetic, biogenic, and geologic environments55620934737.6%
2t118533The Role of Interfaces and Charge for Chemical Reactivity in Microdroplets53235517766.7%
8104w62bSoftware for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package53131821359.9%
6gp6b287Operando studies reveal active Cu nanograins for CO2 electroreduction52132020161.4%
32p5659qEvaporation of Water Nanodroplets on Heated Surfaces: Does Nano Matter?51940311677.6%
3q00h6bbωB97M-V: A combinatorially optimized, range-separated hybrid, meta-GGA density functional with VV10 nonlocal correlation50126923253.7%
6w66r3vkBackbone-Photodegradable Polymers by Incorporating Acylsilane Monomers via Ring-Opening Metathesis Polymerization50137013173.9%
5tw608h5Ultrafast X‑ray Spectroscopy of Intersystem Crossing in Hexafluoroacetylacetone: Chromophore Photophysics and Spectral Changes in the Face of Electron-Withdrawing Groups4924187485.0%
8n5931whContinuum Modeling of Porous Electrodes for Electrochemical Synthesis48926022953.2%
58x2x8r5White paper on light sterile neutrino searches and related phenomenology48132515667.6%
6k0041j4Identification of Highly Active Fe Sites in (Ni,Fe)OOH for Electrocatalytic Water Splitting47821526345.0%
8559x299Long-Range Corrected Hybrid Density Functionals with Damped Atom-Atom Dispersion Corrections4769937720.8%
9xd827xpMechanism of CO2 Reduction at Copper Surfaces: Pathways to C2 Products47327819558.8%
4qg0w271Plasma–liquid interactions: a review and roadmap46924822152.9%
4h95g09bIdentification of the strong Brønsted acid site in a metal–organic framework solid acid catalyst46727818959.5%
40x5s6pmLinear Combination of Atomic Dipoles to Calculate the Bond and Molecular Dipole Moments of Molecules and Molecular Liquids46515930634.2%
10j133qfMechanistic Insights into Co and Fe Quaterpyridine-Based CO2 Reduction Catalysts: Metal–Ligand Orbital Interaction as the Key Driving Force for Distinct Pathways46234911375.5%
7297t9vfωB97X-V: A 10-parameter, range-separated hybrid, generalized gradient approximation density functional with nonlocal correlation, designed by a survival-of-the-fittest strategy46026119956.7%
3m6447z5Technology Roadmap for Flexible Sensors45931414568.4%
43p58999Transport phenomena in electrolyte solutions: Nonequilibrium thermodynamics and statistical mechanics45514231331.2%
6kr9m638Elucidating the Mechanism for the Reaction of o‑Phthalaldehyde with Primary Amines in the Presence of Thiols44320823547.0%
2bd2d8n8Black Drum Fish Teeth: Built for Crushing Mollusk Shells44225918358.6%
0kd1p37xA US perspective on closing the carbon cycle to defossilize difficult-to-electrify segments of our economy43527016562.1%
7mn4t878Guanidinium Group Remains Protonated in a Strongly Basic Arginine Solution43314029332.3%
2j59d40gCu-Ag Tandem Catalysts for High-Rate CO2 Electrolysis toward Multicarbons43110033123.2%
7rq9022xProtein C‑GeM: A Coarse-Grained Electron Model for Fast and Accurate Protein Electrostatics Prediction4263656185.7%
0s77f8mrProbing Electrode Transformation under Dynamic Operation for Alkaline Water Electrolysis41926115862.3%
1045979kf‑Orbital Mixing in the Octahedral f2 Compounds UX6 2– [X = F, Br, Cl, I] and PrCl6 3–41710331424.7%
7kn5j653Ni Foam-Supported Fe-Doped β‑Ni(OH)2 Nanosheets Show Ultralow Overpotential for Oxygen Evolution Reaction41513827733.3%

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