Quantum Chemistry
3,656 papers from PubMed
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 1021-1032 of 3,656
How Polarization Switch Influences Both Charge Separation and Carrier Recombination in Hybrid Perovskites.
Hu Z, Liang H, Hao NJ, He ZH, Tong CJ
How state transitions balance photosynthetic electron transport in plants - a quantitative study.
Koochak H, Oung HMO, Krysiak M, Svoboda V, Kirchhoff H
How the Unconventional Oxidation State Au(2+) Is Stabilized in the Halide Perovskite Cs(4)Au(3)Cl(12): A First-Principles Study of Its Polaron Crystal Nature.
Morita K, Rappe AM
How vibrational excitation shakes up the UV/VIS spectrum: A 2D-VE study.
Masood HMA, Brunst H, Horz M, Wille G, van Wilderen LJGW, Burghardt I, Bredenbeck J
Hybrid analytical-neural network modeling of long-range interactions for molecular collisions.
Duan X, Hong Y, Fang Y, Huang J, Zhang DH
Hybrid antiferroelectric-ferroelectric domain walls in noncollinear antipolar oxides.
Ushakov IN, Topstad M, Khalid MZ, Sharma N, Grams CP, Ludacka U, He J, Hunnestad KA, Sadeqi-Moqadam M, Glaum J, Selbach SM, Hemberger J, Becker P, Bohatý L, Kumar A, Íñiguez-González J, van Helvoort ATJ, Meier D
Hybrid hydrogel-nanocarrier antimicrobial photodynamic therapy with Allura red against clostridium perfringens under oxygen-limited (hypoxic) conditions: An in vitro proof-of-concept.
Majeed HA
Hybrid Integration of Tunnel-Junction InGaN/GaN and Wafer-Bonded AlGaInP/GaInP for Full-Color Micro-LEDs.
Park J, Youn EJ, Kim HS, Baek WJ, Oh SA, Cho IS, Kim DS, Lim WT, Lee JB, Park JH, Kim JG, Min JH, Park HH, Kim S
Hybrid ML/MM Simulations for Computational Enzymology: Recent Advances and Challenges.
Sha X, Wu C, Xie D, Zhou Y
Hybrid variational quantum-classical data assimilation for numerical weather prediction using Lorenz system benchmarks.
Kumar TP, Raghavender KV, Veeranna T, Srikanth GK, Kumar C, Routray A
Hydrangea-derived nitrogen-doped carbon dots: A dual-purpose platform for on-site chlortetracycline detection and time-limited anti-counterfeiting.
Long M, Peng D, Yang J, Wu S
Hydration structure and energetic signatures of hemidirected- and holodirected-like Motifs in aqueous Pb(2+): A SCAN-QMCF-MD and DLPNO-CCSD(T) study.
Prasetyo N, Wijaya K, Zainul R, Wijaya AR, Siddiq NA