Department of Chemistry - Open Access Policy Deposits

Parent: College of Chemistry

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
42n1z58pObservation of negative surface and interface energies of quantum dots1,846169408447822
9wn3w79bAdvances in molecular quantum chemistry contained in the Q-Chem 4 program package1,1539063501499
5pb2w81tFoundations and strategies of the construction of hybrid catalysts for optimized performances9464456463383
34950103Electronic Carotenoid-Chlorophyll Interactions Regulating Photosynthetic Light Harvesting of Higher Plants and Green Algae884125151307301
95r3v8xkEfficient hydrogen peroxide generation using reduced graphene oxide-based oxygen reduction electrocatalysts84717060274343
64g9w83sC–C Bond Cleavage of α‑Pinene Derivatives Prepared from Carvone as a General Strategy for Complex Molecule Synthesis779214263148154
8mn7b4zfWater at Interfaces737146121226244
6b67561kGate-All-Around Nanowire Field-Effect Transistors: A Historical Perspective65917724717263
5jp0f4h1Probing the Stability and Band Gaps of Cs2AgInCl6 and Cs2AgSbCl6 Lead-Free Double Perovskite Nanocrystals64614879149270
5q23p874Surface and Interface Control in Nanoparticle Catalysis637146142203146
4h95g09bIdentification of the strong Brønsted acid site in a metal–organic framework solid acid catalyst61422514015792
3799153s33 Unresolved Questions in Nanoscience and Nanotechnology61219513325826
3q00h6bbωB97M-V: A combinatorially optimized, range-separated hybrid, meta-GGA density functional with VV10 nonlocal correlation59919317514883
6gp6b287Operando studies reveal active Cu nanograins for CO2 electroreduction588203128146111
6258h0jq25th Anniversary Article: Semiconductor Nanowires – Synthesis, Characterization, and Applications56518189164131
4012t5bxSolvent-derived defects suppress adsorption in MOF-7456417613317382
0nk4w4z1Design Principles for Trap-Free CsPbX3 Nanocrystals: Enumerating and Eliminating Surface Halide Vacancies with Softer Lewis Bases551204112117118
62m1r4djHigh-entropy halide perovskite single crystals stabilized by mild chemistry529117136148128
2d96v1kvJanus monolayers of transition metal dichalcogenides51711498134171
93b10650Delocalization Errors in Density Functional Theory Are Essentially Quadratic in Fractional Occupation Number5151471959083
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
7297t9vfωB97X-V: A 10-parameter, range-separated hybrid, generalized gradient approximation density functional with nonlocal correlation, designed by a survival-of-the-fittest strategy5021859813584
6776d9gkAmbient-Temperature Hydrogen Storage via Vanadium(II)-Dihydrogen Complexation in a Metal–Organic Framework478319593268
2vs0h0wgCooperative insertion of CO2 in diamine-appended metal-organic frameworks47513013812978
6vm3v42zLattice Dynamics and Optoelectronic Properties of Vacancy-Ordered Double Perovskite Cs2TeX6 (X = Cl–, Br–, I–) Single Crystals4661739994100
33c9b7zsFranck–Condon and Herzberg–Teller Signatures in Molecular Absorption and Emission Spectra463232817377
6px8d1mzSingle-Particle Studies Reveal a Nanoscale Mechanism for Elastic, Bright, and Repeatable ZnS:Mn Mechanoluminescence in a Low-Pressure Regime4581817492111
9138d67mThe Making and Breaking of Lead-Free Double Perovskite Nanocrystals of Cesium Silver–Bismuth Halide Compositions4561426915491
9cf6c2dqComparing Photosynthetic and Photovoltaic Efficiencies and Recognizing the Potential for Improvement45411913212479
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
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
0d36890qInterfacing nature’s catalytic machinery with synthetic materials for semi-artificial photosynthesis4361557011596
76z199tfSulfur-Modulated Tin Sites Enable Highly Selective Electrochemical Reduction of CO2 to Formate43116912111130
07k9s3q1Quantum Yields, Surface Quenching, and Passivation Efficiency for Ultrasmall Core/Shell Upconverting Nanoparticles4281459114349
89m8c19dStrain fields in twisted bilayer graphene4201486971132
4rb9v621Site-Selective Cross-Coupling of Polyhalogenated Arenes and Heteroarenes with Identical Halogen Groups41872107110129
6s29h5ztExcited states via coupled cluster theory without equation-of-motion methods: Seeking higher roots with application to doubly excited states and double core hole states41712710913546
3jh2443hMagic Numbers and Stabilities of Photoionized Water Clusters: Computational and Experimental Characterization of the Nanosolvated Hydronium Ion4121765771108
7j44v9d1On whole-genome demography of world's ethnic groups and individual genomic identity.4106814515641
6fj8w6t4Coherence in Chemistry: Foundations and Frontiers40811410913649
8cb7t3xbCost and potential of metal–organic frameworks for hydrogen back-up power supply408209808138
10j133qfMechanistic Insights into Co and Fe Quaterpyridine-Based CO2 Reduction Catalysts: Metal–Ligand Orbital Interaction as the Key Driving Force for Distinct Pathways4071456970123
96k425dvRoadmap on methods and software for electronic structure based simulations in chemistry and materials4071328682107
2733261tOn the Upper Limits of Oxidation States in Chemistry396198816750

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