Chemical Sciences

Parent: Energy Sciences

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

ItemTitleTotal requests2026-082026-072026-062026-05
1zp2p74wEffects of Fe Electrolyte Impurities on Ni(OH)2/NiOOH Structure and Oxygen Evolution Activity1,379411261410297
9wn3w79bAdvances in molecular quantum chemistry contained in the Q-Chem 4 program package1,1375014994889
5pb2w81tFoundations and strategies of the construction of hybrid catalysts for optimized performances9424633833363
3vn3k818The Counterintuitive Relationship between Orbital Energy, Orbital Overlap, and Bond Covalency in CeF6 2– and CeCl6 2–898520142123113
8mn7b4zfWater at Interfaces851226244211170
94m2f63gThe birth and evolution of solvated electrons in the water76484373108199
0w20x1dpNickel–Iron Oxyhydroxide Oxygen-Evolution Electrocatalysts: The Role of Intentional and Incidental Iron Incorporation739274183140142
2xm6690fProbing 5f-state configurations in URu2Si2 with U LIII-edge resonant x-ray emission spectroscopy6734651084357
1764r09qStrong Field Ionization of Water II: Electronic and Nuclear Dynamics En Route to Double Ionization667312956047
8mg429w9From Intermolecular Interaction Energies and Observable Shifts to Component Contributions and Back Again: A Tale of Variational Energy Decomposition Analysis665109147204205
99c9p045Single photon induced symmetry breaking of H2 dissociation6597180308200
3dj562gwRecent Advances for Improving the Accuracy, Transferability, and Efficiency of Reactive Force Fields655113159190193
6p29w1vcLocal electronic structure of histidine in aqueous solution654415158504
2dg6v4xvOn the choice of reference orbitals for linear-response calculations of solution-phase K-edge X-ray absorption spectra62475130198221
89m8c19dStrain fields in twisted bilayer graphene61971132226190
5q23p874Surface and Interface Control in Nanoparticle Catalysis595203146118128
4xd8n8q3Propane Dehydrogenation Catalyzed by Isolated Pt Atoms in ≡SiOZn–OH Nests in Dealuminated Zeolite Beta58379113196195
3jh2443hMagic Numbers and Stabilities of Photoionized Water Clusters: Computational and Experimental Characterization of the Nanosolvated Hydronium Ion58171108205197
50n7g0rbMulti-scale physics of bipolar membranes in electrochemical processes580116168135161
6st4b6svOctahedral Distortions Generate a Thermally Activated Phonon-Assisted Radiative Recombination Pathway in Cubic CsPbBr3 Perovskite Quantum Dots578383253455
0jn39540Navigating the research landscape for hyper-NA EUV lithography and future patterning technologies56720396100168
1n55m9r9Crystallization by particle attachment in synthetic, biogenic, and geologic environments55621612891121
2t118533The Role of Interfaces and Charge for Chemical Reactivity in Microdroplets532124132133143
8104w62bSoftware for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package53189126164152
6gp6b287Operando studies reveal active Cu nanograins for CO2 electroreduction521146111135129
32p5659qEvaporation of Water Nanodroplets on Heated Surfaces: Does Nano Matter?51986114147172
3q00h6bbωB97M-V: A combinatorially optimized, range-separated hybrid, meta-GGA density functional with VV10 nonlocal correlation50114883115155
6w66r3vkBackbone-Photodegradable Polymers by Incorporating Acylsilane Monomers via Ring-Opening Metathesis Polymerization50186117137161
5tw608h5Ultrafast X‑ray Spectroscopy of Intersystem Crossing in Hexafluoroacetylacetone: Chromophore Photophysics and Spectral Changes in the Face of Electron-Withdrawing Groups49270118151153
8n5931whContinuum Modeling of Porous Electrodes for Electrochemical Synthesis4898390129187
58x2x8r5White paper on light sterile neutrino searches and related phenomenology4819581125180
6k0041j4Identification of Highly Active Fe Sites in (Ni,Fe)OOH for Electrocatalytic Water Splitting4781771468174
8559x299Long-Range Corrected Hybrid Density Functionals with Damped Atom-Atom Dispersion Corrections4761092714155
9xd827xpMechanism of CO2 Reduction at Copper Surfaces: Pathways to C2 Products47314513289107
4qg0w271Plasma–liquid interactions: a review and roadmap46911311414795
4h95g09bIdentification of the strong Brønsted acid site in a metal–organic framework solid acid catalyst4671579296122
40x5s6pmLinear Combination of Atomic Dipoles to Calculate the Bond and Molecular Dipole Moments of Molecules and Molecular Liquids46557103107198
10j133qfMechanistic Insights into Co and Fe Quaterpyridine-Based CO2 Reduction Catalysts: Metal–Ligand Orbital Interaction as the Key Driving Force for Distinct Pathways46270123124145
7297t9vfωB97X-V: A 10-parameter, range-separated hybrid, generalized gradient approximation density functional with nonlocal correlation, designed by a survival-of-the-fittest strategy46013584110131
3m6447z5Technology Roadmap for Flexible Sensors45910880141130
43p58999Transport phenomena in electrolyte solutions: Nonequilibrium thermodynamics and statistical mechanics4551801358060
6kr9m638Elucidating the Mechanism for the Reaction of o‑Phthalaldehyde with Primary Amines in the Presence of Thiols44311010298133
2bd2d8n8Black Drum Fish Teeth: Built for Crushing Mollusk Shells44210911292129
0kd1p37xA US perspective on closing the carbon cycle to defossilize difficult-to-electrify segments of our economy43515560101119
7mn4t878Guanidinium Group Remains Protonated in a Strongly Basic Arginine Solution4331319588119
2j59d40gCu-Ag Tandem Catalysts for High-Rate CO2 Electrolysis toward Multicarbons4311617279119
7rq9022xProtein C‑GeM: A Coarse-Grained Electron Model for Fast and Accurate Protein Electrostatics Prediction4267291112151
0s77f8mrProbing Electrode Transformation under Dynamic Operation for Alkaline Water Electrolysis4199586108130
1045979kf‑Orbital Mixing in the Octahedral f2 Compounds UX6 2– [X = F, Br, Cl, I] and PrCl6 3–417152829984
7kn5j653Ni Foam-Supported Fe-Doped β‑Ni(OH)2 Nanosheets Show Ultralow Overpotential for Oxygen Evolution Reaction41510366112134

Note: Due to the evolving nature of web traffic, the data presented here should be considered approximate and subject to revision. Learn more.