Department of Chemistry - Open Access Policy Deposits

Parent: College of Chemistry

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

ItemTitleTotal requests2026-082026-072026-062026-05
42n1z58pObservation of negative surface and interface energies of quantum dots1,727447822216242
9wn3w79bAdvances in molecular quantum chemistry contained in the Q-Chem 4 program package1,1375014994889
34950103Electronic Carotenoid-Chlorophyll Interactions Regulating Photosynthetic Light Harvesting of Higher Plants and Green Algae1,076307301212256
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
5jp0f4h1Probing the Stability and Band Gaps of Cs2AgInCl6 and Cs2AgSbCl6 Lead-Free Double Perovskite Nanocrystals84814927083346
5b45c5cfPhotosynthetic semiconductor biohybrids for solar-driven biocatalysis840868498572
6px8d1mzSingle-Particle Studies Reveal a Nanoscale Mechanism for Elastic, Bright, and Repeatable ZnS:Mn Mechanoluminescence in a Low-Pressure Regime81492111161450
95r3v8xkEfficient hydrogen peroxide generation using reduced graphene oxide-based oxygen reduction electrocatalysts80327434368118
4012t5bxSolvent-derived defects suppress adsorption in MOF-7467217382246171
8mg429w9From Intermolecular Interaction Energies and Observable Shifts to Component Contributions and Back Again: A Tale of Variational Energy Decomposition Analysis665109147204205
2d96v1kvJanus monolayers of transition metal dichalcogenides650134171177168
3qh0q56cA Night-Time Edge Site Intermediate in the Cyanobacterial Circadian Clock Identified by EPR Spectroscopy63192100191248
4rb9v621Site-Selective Cross-Coupling of Polyhalogenated Arenes and Heteroarenes with Identical Halogen Groups626110129141246
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
3jh2443hMagic Numbers and Stabilities of Photoionized Water Clusters: Computational and Experimental Characterization of the Nanosolvated Hydronium Ion58171108205197
64g9w83sC–C Bond Cleavage of α‑Pinene Derivatives Prepared from Carvone as a General Strategy for Complex Molecule Synthesis57814815419977
6258h0jq25th Anniversary Article: Semiconductor Nanowires – Synthesis, Characterization, and Applications544164131108141
8104w62bSoftware for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package53189126164152
9h42g14pTwo-dimensional halide perovskite lateral epitaxial heterostructures530101113150166
62m1r4djHigh-entropy halide perovskite single crystals stabilized by mild chemistry529148128124129
6gp6b287Operando studies reveal active Cu nanograins for CO2 electroreduction521146111135129
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
96k425dvRoadmap on methods and software for electronic structure based simulations in chemistry and materials48982107120180
3799153s33 Unresolved Questions in Nanoscience and Nanotechnology4812582610988
9xd827xpMechanism of CO2 Reduction at Copper Surfaces: Pathways to C2 Products47314513289107
4h95g09bIdentification of the strong Brønsted acid site in a metal–organic framework solid acid catalyst4671579296122
10j133qfMechanistic Insights into Co and Fe Quaterpyridine-Based CO2 Reduction Catalysts: Metal–Ligand Orbital Interaction as the Key Driving Force for Distinct Pathways46270123124145
6b67561kGate-All-Around Nanowire Field-Effect Transistors: A Historical Perspective4601726394131
7297t9vfωB97X-V: A 10-parameter, range-separated hybrid, generalized gradient approximation density functional with nonlocal correlation, designed by a survival-of-the-fittest strategy46013584110131
0nk4w4z1Design Principles for Trap-Free CsPbX3 Nanocrystals: Enumerating and Eliminating Surface Halide Vacancies with Softer Lewis Bases44811711893120
9138d67mThe Making and Breaking of Lead-Free Double Perovskite Nanocrystals of Cesium Silver–Bismuth Halide Compositions4371549183109
0d36890qInterfacing nature’s catalytic machinery with synthetic materials for semi-artificial photosynthesis43611596107118
1w40c1v9Advances in covalent drug discovery4351082779221
6nq0d904Multifunctional Catalysts for Ring-Opening Copolymerizations43381111118123
98g2b86sXanthophyll-cycle based model of the rapid photoprotection of Nannochloropsis in response to regular and irregular light/dark sequences43350102135146
2j59d40gCu-Ag Tandem Catalysts for High-Rate CO2 Electrolysis toward Multicarbons4311617279119
6vm3v42zLattice Dynamics and Optoelectronic Properties of Vacancy-Ordered Double Perovskite Cs2TeX6 (X = Cl–, Br–, I–) Single Crystals42394100106123
06v5r17gThermochromic halide perovskite solar cells4189879126115
48h123c0Using coherence to enhance function in chemical and biophysical systems4121551027283
73x4k3q4Simple and Accurate One-Body Energy and Dipole Moment Surfaces for Water and Beyond4125387121151
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 representation4066873118147
4x6407h3Insight into the Ligand-Mediated Synthesis of Colloidal CsPbBr3 Perovskite Nanocrystals: The Role of Organic Acid, Base, and Cesium Precursors4021068696114
4mt6j129Generalization of ETS-NOCV and ALMO-COVP Energy Decomposition Analysis to Connect Any Two Electronic States and Comparative Assessment3997289111127
9cf6c2dqComparing Photosynthetic and Photovoltaic Efficiencies and Recognizing the Potential for Improvement3981247979116

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