Chemical Sciences

eScholarship stats: History by Item for April through July, 2024

Item	Title	Total requests	2024-07	2024-06	2024-05	2024-04
0h6407dj	How Accurate Are the Minnesota Density Functionals for Noncovalent Interactions, Isomerization Energies, Thermochemistry, and Barrier Heights Involving Molecules Composed of Main-Group Elements?	250	66	47	59	78
72972402	An Algorithm for the Extraction of Tafel Slopes	229	51	51	50	77
1045979k	f‑Orbital Mixing in the Octahedral f2 Compounds UX6 2– [X = F, Br, Cl, I] and PrCl6 3–	207	56	26	68	57
9xd827xp	Mechanism of CO2 Reduction at Copper Surfaces: Pathways to C2 Products	202	43	50	62	47
1zp2p74w	Effects of Fe Electrolyte Impurities on Ni(OH)2/NiOOH Structure and Oxygen Evolution Activity	196	43	53	41	59
14t5962n	In-situ X-ray photoelectron spectroscopy studies of water on metals and oxides at ambient conditions	192	49	47	41	55
9m76s93g	Highly selective and productive reduction of carbon dioxide to multicarbon products via in situ CO management using segmented tandem electrodes	173	32	39	47	55
1ff7n1z6	Coexistence of Multilayered Phases of Confined Water: The Importance of Flexible Confining Surfaces	171	40	43	43	45
0js1c0jw	In Situ Raman Study of Nickel Oxide and Gold-Supported Nickel Oxide Catalysts for the Electrochemical Evolution of Oxygen	164	48	48	29	39
2vs0h0wg	Cooperative insertion of CO2 in diamine-appended metal-organic frameworks	155	55	44	27	29
83b2r9mc	Efficient phase-factor evaluation in quantum signal processing	152	42	43	29	38
9wn3w79b	Advances in molecular quantum chemistry contained in the Q-Chem 4 program package	143	45	19	48	31
284041qb	Physical Origins of the Transient Absorption Spectra and Dynamics in Thin-Film Semiconductors: The Case of BiVO4	139	39	28	36	36
43p58999	Transport phenomena in electrolyte solutions: Nonequilibrium thermodynamics and statistical mechanics	130	19	21	41	49
55g1h87k	Metal–Organic Frameworks for Electrocatalytic Reduction of Carbon Dioxide	123	35	31	28	29
93b10650	Delocalization Errors in Density Functional Theory Are Essentially Quadratic in Fractional Occupation Number	123	42	42	19	20
1596g9zr	Tailored catalyst microenvironments for CO2 electroreduction to multicarbon products on copper using bilayer ionomer coatings	120	35	22	28	35
0b59m9kf	Assessing DFT-D3 Damping Functions Across Widely Used Density Functionals: Can We Do Better?	117	28	30	32	27
89m8c19d	Strain fields in twisted bilayer graphene	112	34	30	20	28
4sz2d3d1	The Energetic Origins of Pi-Pi Contacts in Proteins.	109	35	18	21	35
0kw8v0f1	Ion association in aqueous solution	107	41	20	15	31
7297t9vf	ωB97X-V: A 10-parameter, range-separated hybrid, generalized gradient approximation density functional with nonlocal correlation, designed by a survival-of-the-fittest strategy	106	16	18	39	33
6h29r45c	Chapter 3: Understanding the Effects of Composition and Structure on the Oxygen Evolution Reaction (OER) Occurring on NiFeOx Catalysts	105	34	26	26	19
4hq4p42d	The mechanism and kinetics of methyl isobutyl ketone synthesis from acetone over ion-exchanged hydroxyapatite	104	22	20	29	33
2996f06j	A Perspective on the Electrochemical Oxidation of Methane to Methanol in Membrane Electrode Assemblies	102	39	17	21	25
6k0041j4	Identification of Highly Active Fe Sites in (Ni,Fe)OOH for Electrocatalytic Water Splitting	102	36	23	26	17
7bx525z3	Theoretical Investigation of the Activity of Cobalt Oxides for the Electrochemical Oxidation of Water	102	33	26	20	23
8tt7g4ff	Promoter Effects of Alkali Metal Cations on the Electrochemical Reduction of Carbon Dioxide	101	31	25	20	25
9532z6qs	A Molecular Surface Functionalization Approach to Tuning Nanoparticle Electrocatalysts for Carbon Dioxide Reduction	100	32	32	16	20
12r1v5c3	Optical Absorption‐Based In Situ Characterization of Halide Perovskites	99	41	23	23	12
1n55m9r9	Crystallization by particle attachment in synthetic, biogenic, and geologic environments	97	36	17	21	23
1pj0q014	Low-temperature formation of polycyclic aromatic hydrocarbons in Titan’s atmosphere	97	23	20	28	26
4t9775r9	A heterogeneous iridium single-atom-site catalyst for highly regioselective carbenoid O–H bond insertion	96	27	21	20	28
88x9937w	A hydrated crystalline calcium carbonate phase: Calcium carbonate hemihydrate	95	30	23	17	25
9jc9x2rp	Metallic Transition-Metal Dichalcogenide Nanocatalysts for Energy Conversion	94	28	27	17	22
6b32z2f4	Diamond-lattice photonic crystals assembled from DNA origami.	93	20	73
2dm473vb	Solubility of Nanocrystalline Cerium Dioxide: Experimental Data and Thermodynamic Modeling	92	33	16	23	20
1118b990	Direct precipitation of niobium and tantalum from alkaline solutions using calcium-bearing reagents	91	25	14	26	26
52m5m875	Anion and Cation Migration at 2D/3D Halide Perovskite Interfaces	90	20	24	46
89j1q95q	Nonlocal pseudopotential energy density functional for orbital-free density functional theory	89	28	25	14	22
9mw142xs	Cation, Anion, and Radical Isomers of C4H4N: Computational Characterization and Implications for Astrophysical and Planetary Environments	89	20	20	26	23
10n0r49b	An Investigation of Thin-Film Ni–Fe Oxide Catalysts for the Electrochemical Evolution of Oxygen	88	29	19	25	15
07p4102m	Modeling gas-diffusion electrodes for CO 2 reduction	87	23	16	26	22
8xg9c563	Isolable fluorinated triphenylmethyl cation salts of [HCB 11 Cl 11 ] − : demonstration of remarkable hydride affinity	87	34	22	18	13
68x3v8wm	Simple and Accurate Determination of Reactivity Ratios Using a Nonterminal Model of Chain Copolymerization	86	33	13	23	17
8911h9fp	Zinc Sulfide Nanosheet‐Based Hybrid Superlattices with Tunable Architectures Showing Enhanced Photoelectrochemical Properties	86	29	24	11	22
9c261770	Role of Catalyst Preparation on the Electrocatalytic Activity of Ni1–x Fe x OOH for the Oxygen Evolution Reaction	86	27	24	19	16
08q2m81s	Understanding the Oxygen Evolution Reaction Mechanism on CoO x using Operando Ambient-Pressure X‑ray Photoelectron Spectroscopy	85	31	17	24	13
5q23p874	Surface and Interface Control in Nanoparticle Catalysis	85	29	23	17	16
98h4k4mw	Metallacyclic actinide catalysts for dinitrogen conversion to ammonia and secondary amines	85	26	20	16	23

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