Chemical Sciences

Parent: Energy Sciences

eScholarship stats: Breakdown by Item for April through July, 2026

ItemTitleTotal requestsDownloadView-only%Dnld
1zp2p74wEffects of Fe Electrolyte Impurities on Ni(OH)2/NiOOH Structure and Oxygen Evolution Activity1,23357565846.6%
94m2f63gThe birth and evolution of solvated electrons in the water1,03873530370.8%
8mn7b4zfWater at Interfaces79947132858.9%
89m8c19dStrain fields in twisted bilayer graphene79361417977.4%
3vn3k818The Counterintuitive Relationship between Orbital Energy, Orbital Overlap, and Bond Covalency in CeF6 2– and CeCl6 2–75133241944.2%
3dj562gwRecent Advances for Improving the Accuracy, Transferability, and Efficiency of Reactive Force Fields73762211584.4%
2dg6v4xvOn the choice of reference orbitals for linear-response calculations of solution-phase K-edge X-ray absorption spectra7186388088.9%
8mg429w9From Intermolecular Interaction Energies and Observable Shifts to Component Contributions and Back Again: A Tale of Variational Energy Decomposition Analysis71656215478.5%
9wn3w79bAdvances in molecular quantum chemistry contained in the Q-Chem 4 program package71361110285.7%
6p29w1vcLocal electronic structure of histidine in aqueous solution68758210584.7%
1764r09qStrong Field Ionization of Water II: Electronic and Nuclear Dynamics En Route to Double Ionization6836364793.1%
3jh2443hMagic Numbers and Stabilities of Photoionized Water Clusters: Computational and Experimental Characterization of the Nanosolvated Hydronium Ion68055812282.1%
99c9p045Single photon induced symmetry breaking of H2 dissociation68015053022.1%
4xd8n8q3Propane Dehydrogenation Catalyzed by Isolated Pt Atoms in ≡SiOZn–OH Nests in Dealuminated Zeolite Beta65942223764.0%
50n7g0rbMulti-scale physics of bipolar membranes in electrochemical processes61541919668.1%
6st4b6svOctahedral Distortions Generate a Thermally Activated Phonon-Assisted Radiative Recombination Pathway in Cubic CsPbBr3 Perovskite Quantum Dots60647513178.4%
32p5659qEvaporation of Water Nanodroplets on Heated Surfaces: Does Nano Matter?58144913277.3%
8n5931whContinuum Modeling of Porous Electrodes for Electrochemical Synthesis57528828750.1%
0w20x1dpNickel–Iron Oxyhydroxide Oxygen-Evolution Electrocatalysts: The Role of Intentional and Incidental Iron Incorporation57131625555.3%
7df6638cLearning to evolve structural ensembles of unfolded and disordered proteins using experimental solution data56513443123.7%
58x2x8r5White paper on light sterile neutrino searches and related phenomenology55634621062.2%
5q23p874Surface and Interface Control in Nanoparticle Catalysis55535020563.1%
8104w62bSoftware for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package54630024654.9%
2t118533The Role of Interfaces and Charge for Chemical Reactivity in Microdroplets53338814572.8%
6w66r3vkBackbone-Photodegradable Polymers by Incorporating Acylsilane Monomers via Ring-Opening Metathesis Polymerization52539213374.7%
4qg0w271Plasma–liquid interactions: a review and roadmap52427924553.2%
10j133qfMechanistic Insights into Co and Fe Quaterpyridine-Based CO2 Reduction Catalysts: Metal–Ligand Orbital Interaction as the Key Driving Force for Distinct Pathways51538912675.5%
3m6447z5Technology Roadmap for Flexible Sensors51336315070.8%
5tw608h5Ultrafast X‑ray Spectroscopy of Intersystem Crossing in Hexafluoroacetylacetone: Chromophore Photophysics and Spectral Changes in the Face of Electron-Withdrawing Groups5134318284.0%
5pb2w81tFoundations and strategies of the construction of hybrid catalysts for optimized performances512414718.0%
69v906fzA Molecular‐Scale Understanding of Misorientation Toughening in Corals and Seashells50521029541.6%
6gp6b287Operando studies reveal active Cu nanograins for CO2 electroreduction49630619061.7%
3q00h6bbωB97M-V: A combinatorially optimized, range-separated hybrid, meta-GGA density functional with VV10 nonlocal correlation49224924350.6%
40x5s6pmLinear Combination of Atomic Dipoles to Calculate the Bond and Molecular Dipole Moments of Molecules and Molecular Liquids48816632234.0%
6kr9m638Elucidating the Mechanism for the Reaction of o‑Phthalaldehyde with Primary Amines in the Presence of Thiols47920327642.4%
7297t9vfωB97X-V: A 10-parameter, range-separated hybrid, generalized gradient approximation density functional with nonlocal correlation, designed by a survival-of-the-fittest strategy47928119858.7%
73x4k3q4Simple and Accurate One-Body Energy and Dipole Moment Surfaces for Water and Beyond4703927883.4%
66k3m8h5Evaluating the potential of chelation therapy to prevent and treat gadolinium deposition from MRI contrast agents46127918260.5%
72972402An Algorithm for the Extraction of Tafel Slopes45417927539.4%
2bd2d8n8Black Drum Fish Teeth: Built for Crushing Mollusk Shells45129016164.3%
1wq3r6rbHow thermal fluctuations influence the function of the FeMo cofactor in nitrogenase enzymes45014530532.2%
6jf6869jA foundation model for atomistic materials chemistry45026918159.8%
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 representation4493767383.7%
4mt6j129Generalization of ETS-NOCV and ALMO-COVP Energy Decomposition Analysis to Connect Any Two Electronic States and Comparative Assessment44528316263.6%
7rq9022xProtein C‑GeM: A Coarse-Grained Electron Model for Fast and Accurate Protein Electrostatics Prediction4453648181.8%
8559x299Long-Range Corrected Hybrid Density Functionals with Damped Atom-Atom Dispersion Corrections4457636917.1%
1n55m9r9Crystallization by particle attachment in synthetic, biogenic, and geologic environments43920023945.6%
2dm473vbSolubility of Nanocrystalline Cerium Dioxide: Experimental Data and Thermodynamic Modeling43126316861.0%
9vd525qwMethods for Theoretical Treatment of Local Fields in Proteins and Enzymes43129413768.2%
9xd827xpMechanism of CO2 Reduction at Copper Surfaces: Pathways to C2 Products41725116660.2%

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