Quantum Chemistry
8,744 papers
Quantum Chemistry Research Context
This Quantum Articles category organizes published quantum research papers so readers can browse focused work by topic, source, and year.
Showing 2881-2892 of 8,744
Unveiling the molecular interactions of flavonoid derivatives as human aldose reductase inhibitors: a detailed DFT-based per-residue interaction energy mapping.
İş YS
Unveiling the plasmonic electron origin: dual vacancies synergy in an S-scheme Cu(7)S(4)@ZnIn(2)S(4) heterojunction boosting hot electron flow for photothermal H(2) evolution.
Wu M, Chu B, Hu B, Zhang J, Yang W, Tian M
Unveiling Volcano-Type Trends in SOCT-ISC Photosensitization: Energy Gap Law-Guided Strategy for Efficient Photodynamic Therapy.
Han F, Zhou X, Zhang Z, Cai L, Zhang H, Zheng J, Long S, Jiang XD, Sun W, Du J, Fan J, Peng X
Unwrapping the Dodecaborane Core: Structure, Electronic Properties, and Chemical Reactivity Across the Complete [B(12)I(n)](-) Series (n = 11-1).
Shao Q, Cao W, Knorke H, Behrend KA, Kaur J, Rohdenburg M, Volke D, Kenttämaa HI, Hu Z, Sun Z, Warneke J, Sun H, Wang XB
Upconversion-Assisted Solar-Driven Hydrogen Evolution in β-SiC via Synergistic Upconversion-Polydopamine Integration and Thermoelectric Activation.
Verma AK, Tripathi P, Sinha ASK, Singh S
Uptake of ammonia by mixed sulfate-bisulfate cluster cations under multicollisional conditions: approaching equilibrium particle formation in ion traps.
Li K, Schöpfer G, Ončák M, Lengyel J
Using Density-Corrected DFT to Understand Density-Driven and Functional-Dependent Errors in Ab Initio Simulations of the Hydrated Electron.
Borrelli WR, Guardado Sandoval JL, Schwartz BJ
Using near-flat-band electrons for read-out of molecular spin qubit entangled states
Christian Bunker, Silas Hoffman, Shuanglong Liu, Xiao-Guang Zhang, Hai-Ping Cheng
Using Near-Flat-Band Electrons for Read-Out of Molecular Spin Qubit Entangled States.
Bunker C, Hoffman S, Liu S, Zhang XG, Cheng HP.
Utility of Animal Models of Pneumonia and Sepsis.
Taenaka H, Maishan M, Watanabe R, Matthay MA
Utility-scale quantum computational chemistry
Davide Castaldo, Markus Reiher
UV Intermittent Sterilization for Controlling Aspergillus SPP Dissemination and Preventing Aflatoxin Dairy Contamination: The Quantum Gravity Linearity Shifting Collapse Mechanisms Underline Bio-Systems and the Definition of Entropy-Stabilized Barycenter (EB)
Jingli Xing