Chemical Sciences

Parent: Energy Sciences

eScholarship stats: Breakdown by Item for June through September, 2026

ItemTitleTotal requestsDownloadView-only%Dnld
3vn3k818The Counterintuitive Relationship between Orbital Energy, Orbital Overlap, and Bond Covalency in CeF6 2– and CeCl6 2–2,0253061,71915.1%
1zp2p74wEffects of Fe Electrolyte Impurities on Ni(OH)2/NiOOH Structure and Oxygen Evolution Activity1,31446185335.1%
9wn3w79bAdvances in molecular quantum chemistry contained in the Q-Chem 4 program package1,1111,0139891.2%
5pb2w81tFoundations and strategies of the construction of hybrid catalysts for optimized performances935408954.3%
8mn7b4zfWater at Interfaces80251129163.7%
0w20x1dpNickel–Iron Oxyhydroxide Oxygen-Evolution Electrocatalysts: The Role of Intentional and Incidental Iron Incorporation79746433358.2%
2xm6690fProbing 5f-state configurations in URu2Si2 with U LIII-edge resonant x-ray emission spectroscopy7777304794.0%
1764r09qStrong Field Ionization of Water II: Electronic and Nuclear Dynamics En Route to Double Ionization6536064792.8%
43p58999Transport phenomena in electrolyte solutions: Nonequilibrium thermodynamics and statistical mechanics62514448123.0%
94m2f63gThe birth and evolution of solvated electrons in the water61545815774.5%
5q23p874Surface and Interface Control in Nanoparticle Catalysis60931429551.6%
1n55m9r9Crystallization by particle attachment in synthetic, biogenic, and geologic environments57621036636.5%
8mg429w9From Intermolecular Interaction Energies and Observable Shifts to Component Contributions and Back Again: A Tale of Variational Energy Decomposition Analysis55742713076.7%
3dj562gwRecent Advances for Improving the Accuracy, Transferability, and Efficiency of Reactive Force Fields5474559283.2%
99c9p045Single photon induced symmetry breaking of H2 dissociation54011842221.9%
3q00h6bbωB97M-V: A combinatorially optimized, range-separated hybrid, meta-GGA density functional with VV10 nonlocal correlation52127324852.4%
6gp6b287Operando studies reveal active Cu nanograins for CO2 electroreduction52032119961.7%
4qg0w271Plasma–liquid interactions: a review and roadmap51624627047.7%
0jn39540Navigating the research landscape for hyper-NA EUV lithography and future patterning technologies50824626248.4%
2t118533The Role of Interfaces and Charge for Chemical Reactivity in Microdroplets50231119162.0%
50n7g0rbMulti-scale physics of bipolar membranes in electrochemical processes50135614571.1%
89m8c19dStrain fields in twisted bilayer graphene49835414471.1%
4h95g09bIdentification of the strong Brønsted acid site in a metal–organic framework solid acid catalyst48526621954.8%
8104w62bSoftware for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package48128219958.6%
6k0041j4Identification of Highly Active Fe Sites in (Ni,Fe)OOH for Electrocatalytic Water Splitting48021726345.2%
3m6447z5Technology Roadmap for Flexible Sensors47332914469.6%
93b10650Delocalization Errors in Density Functional Theory Are Essentially Quadratic in Fractional Occupation Number4609236820.0%
8559x299Long-Range Corrected Hybrid Density Functionals with Damped Atom-Atom Dispersion Corrections4579536220.8%
4xd8n8q3Propane Dehydrogenation Catalyzed by Isolated Pt Atoms in ≡SiOZn–OH Nests in Dealuminated Zeolite Beta45129915266.3%
5p24x41wSelf-Heating Conductive Ceramic Composites for High Temperature Thermal Energy Storage45022822250.7%
9xd827xpMechanism of CO2 Reduction at Copper Surfaces: Pathways to C2 Products45023821252.9%
3jh2443hMagic Numbers and Stabilities of Photoionized Water Clusters: Computational and Experimental Characterization of the Nanosolvated Hydronium Ion4413627982.1%
56n2065vDecoherence-Free Subspaces and Subsystems4405738313.0%
2dg6v4xvOn the choice of reference orbitals for linear-response calculations of solution-phase K-edge X-ray absorption spectra4393895088.6%
6jf6869jA foundation model for atomistic materials chemistry43114828334.3%
6kr9m638Elucidating the Mechanism for the Reaction of o‑Phthalaldehyde with Primary Amines in the Presence of Thiols43020722348.1%
0kd1p37xA US perspective on closing the carbon cycle to defossilize difficult-to-electrify segments of our economy42928014965.3%
7297t9vfωB97X-V: A 10-parameter, range-separated hybrid, generalized gradient approximation density functional with nonlocal correlation, designed by a survival-of-the-fittest strategy42724218556.7%
6w66r3vkBackbone-Photodegradable Polymers by Incorporating Acylsilane Monomers via Ring-Opening Metathesis Polymerization41831410475.1%
32p5659qEvaporation of Water Nanodroplets on Heated Surfaces: Does Nano Matter?41530411173.3%
1045979kf‑Orbital Mixing in the Octahedral f2 Compounds UX6 2– [X = F, Br, Cl, I] and PrCl6 3–4128532720.6%
2vs0h0wgCooperative insertion of CO2 in diamine-appended metal-organic frameworks41122818355.5%
5tw608h5Ultrafast X‑ray Spectroscopy of Intersystem Crossing in Hexafluoroacetylacetone: Chromophore Photophysics and Spectral Changes in the Face of Electron-Withdrawing Groups4103367482.0%
2bd2d8n8Black Drum Fish Teeth: Built for Crushing Mollusk Shells40922218754.3%
69t5z366Initial measurement of reactor antineutrino oscillation at SNO+40324415960.5%
0758z549Techno-economic and carbon dioxide emission assessment of carbon black production40212727531.6%
58x2x8r5White paper on light sterile neutrino searches and related phenomenology39924915062.4%
2nx8r6pzEngineered Recognition of Tetravalent Zirconium and Thorium by Chelator–Protein Systems: Toward Flexible Radiotherapy and Imaging Platforms3928330921.2%
7mn4t878Guanidinium Group Remains Protonated in a Strongly Basic Arginine Solution38913525434.7%
48h123c0Using coherence to enhance function in chemical and biophysical systems3862899774.9%

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