Chemical Sciences

Parent: Energy Sciences

eScholarship stats: History by Item for July through October, 2026

ItemTitleTotal requests2026-102026-092026-082026-07
3vn3k818The Counterintuitive Relationship between Orbital Energy, Orbital Overlap, and Bond Covalency in CeF6 2– and CeCl6 2–2,4105081,240520142
9wn3w79bAdvances in molecular quantum chemistry contained in the Q-Chem 4 program package1,1539063501499
1zp2p74wEffects of Fe Electrolyte Impurities on Ni(OH)2/NiOOH Structure and Oxygen Evolution Activity1,114210232411261
5pb2w81tFoundations and strategies of the construction of hybrid catalysts for optimized performances9464456463383
0w20x1dpNickel–Iron Oxyhydroxide Oxygen-Evolution Electrocatalysts: The Role of Intentional and Incidental Iron Incorporation892235200274183
2xm6690fProbing 5f-state configurations in URu2Si2 with U LIII-edge resonant x-ray emission spectroscopy882148161465108
43p58999Transport phenomena in electrolyte solutions: Nonequilibrium thermodynamics and statistical mechanics761216230180135
8mn7b4zfWater at Interfaces737146121226244
1n55m9r9Crystallization by particle attachment in synthetic, biogenic, and geologic environments664179141216128
5q23p874Surface and Interface Control in Nanoparticle Catalysis637146142203146
6kr9m638Elucidating the Mechanism for the Reaction of o‑Phthalaldehyde with Primary Amines in the Presence of Thiols617285120110102
4h95g09bIdentification of the strong Brønsted acid site in a metal–organic framework solid acid catalyst61422514015792
3q00h6bbωB97M-V: A combinatorially optimized, range-separated hybrid, meta-GGA density functional with VV10 nonlocal correlation59919317514883
94m2f63gThe birth and evolution of solvated electrons in the water599925084373
6gp6b287Operando studies reveal active Cu nanograins for CO2 electroreduction588203128146111
4012t5bxSolvent-derived defects suppress adsorption in MOF-7456417613317382
2t118533The Role of Interfaces and Charge for Chemical Reactivity in Microdroplets558189113124132
0758z549Techno-economic and carbon dioxide emission assessment of carbon black production55521213414762
5p24x41wSelf-Heating Conductive Ceramic Composites for High Temperature Thermal Energy Storage538164144122108
3dj562gwRecent Advances for Improving the Accuracy, Transferability, and Efficiency of Reactive Force Fields53317685113159
6k0041j4Identification of Highly Active Fe Sites in (Ni,Fe)OOH for Electrocatalytic Water Splitting53313476177146
0jn39540Navigating the research landscape for hyper-NA EUV lithography and future patterning technologies52711910920396
50n7g0rbMulti-scale physics of bipolar membranes in electrochemical processes52415882116168
93b10650Delocalization Errors in Density Functional Theory Are Essentially Quadratic in Fractional Occupation Number5151471959083
4qg0w271Plasma–liquid interactions: a review and roadmap512143142113114
8mg429w9From Intermolecular Interaction Energies and Observable Shifts to Component Contributions and Back Again: A Tale of Variational Energy Decomposition Analysis51215997109147
9xd827xpMechanism of CO2 Reduction at Copper Surfaces: Pathways to C2 Products50914884145132
3m6447z5Technology Roadmap for Flexible Sensors50717514410880
0bv00488Parrotfish Teeth: Stiff Biominerals Whose Microstructure Makes Them Tough and Abrasion-Resistant To Bite Stony Corals5062479510460
7297t9vfωB97X-V: A 10-parameter, range-separated hybrid, generalized gradient approximation density functional with nonlocal correlation, designed by a survival-of-the-fittest strategy5021859813584
2bd2d8n8Black Drum Fish Teeth: Built for Crushing Mollusk Shells49017396109112
4vb5x6g9Cobalt–Iron (Oxy)hydroxide Oxygen Evolution Electrocatalysts: The Role of Structure and Composition on Activity, Stability, and Mechanism48914112920118
56n2065vDecoherence-Free Subspaces and Subsystems4807822712946
9zn3q96nChelation and stabilization of berkelium in oxidation state plus IV480245918163
6776d9gkAmbient-Temperature Hydrogen Storage via Vanadium(II)-Dihydrogen Complexation in a Metal–Organic Framework478319593268
8559x299Long-Range Corrected Hybrid Density Functionals with Damped Atom-Atom Dispersion Corrections4776136109271
2nx8r6pzEngineered Recognition of Tetravalent Zirconium and Thorium by Chelator–Protein Systems: Toward Flexible Radiotherapy and Imaging Platforms4751306423249
2vs0h0wgCooperative insertion of CO2 in diamine-appended metal-organic frameworks47513013812978
7mn4t878Guanidinium Group Remains Protonated in a Strongly Basic Arginine Solution4701697513195
1045979kf‑Orbital Mixing in the Octahedral f2 Compounds UX6 2– [X = F, Br, Cl, I] and PrCl6 3–4661537915282
8sx6f9vbThe Optical Diode Ideality Factor Enables Fast Screening of Semiconductors for Solar Cells465423141711
1r17q430Oxidation State and Surface Reconstruction of Cu under CO2 Reduction Conditions from In Situ X‑ray Characterization4601514919862
5621f151Programmable simulations of molecules and materials with reconfigurable quantum processors4531551587169
0h6407djHow Accurate Are the Minnesota Density Functionals for Noncovalent Interactions, Isomerization Energies, Thermochemistry, and Barrier Heights Involving Molecules Composed of Main-Group Elements?45115111112267
8104w62bSoftware for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package45013310289126
0s77f8mrProbing Electrode Transformation under Dynamic Operation for Alkaline Water Electrolysis445167979586
97j2n2g4UV-Induced Reaction Pathways in Bromoform Probed with Ultrafast Electron Diffraction4451736567140
6w66r3vkBackbone-Photodegradable Polymers by Incorporating Acylsilane Monomers via Ring-Opening Metathesis Polymerization4441637886117
48h123c0Using coherence to enhance function in chemical and biophysical systems44312957155102
7kn5j653Ni Foam-Supported Fe-Doped β‑Ni(OH)2 Nanosheets Show Ultralow Overpotential for Oxygen Evolution Reaction4411858710366

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