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 2149-2160 of 3,656
Theoretical study of the reaction mechanisms, kinetics, and toxicity of acetyl peroxyl and hydroperoxyl radicals: implications for atmospheric chemistry.
Xiao W, Liu L, Bai F, Zhang S, Zhang X
Theory and Simulations of Fluorescence-Detected Two-Dimensional Electronic Spectroscopy: From Rigorous Quantum Mechanics to Simple Kinetic Models.
Rueda Espinosa KJ, Herrera RodrÃguez LE, Kananenka AA
Theory for Entangled-Photons Stimulated Raman Scattering versus Nonlinear Absorption for Polyatomic Molecules.
Zhang M, Fan JJ, Schlawin F, Zhang Z
Thermal Decomposition Simulations of Hydroxylamine Pentazolate With Deep Neural Network Potential.
Sheng G, Wang C, Zhang J, Guo W, Liu R
Thermal Force Imaging of Hot Electrons in Operando Nanodevices.
Lu W, Xu Z, Zhang H, Biehs SA, Kittel A, Qin L, Gong X, Xue H, Song Y, Zhong Z, Chen S, Ding K, Lu W, An Z
Thermal-stress enhanced pyroelectricity in piezoelectric bimorphs.
Su CM, Lin CC, Chen YC, Liu CX, Wang YJ, Xu Y, Tian B, Lu S, Li C, Duan CG, Yang JC, Yeh CN, Wu JM, Yu P, Chen YC, Tsou NT, Martin LW, Chu YH
Thermally Modulated Specular Phonon Transport in a High-Debye-Temperature Diamond Nanobeam.
Jang S, Jeon SW, Shiga T, Shin J, Han S, Park W
Thermally Reconfigurable Metasurfaces: From Linear Wavefront Control to Nonlinear and Chemical Functionality.
Karaman OC, Naidu GN, Di Francescantonio A, Dall'Aglio D, Dayi EN, Davidova G, Tagliabue G
Thermo-Bistable Red and Sensitized Near-Infrared Photoswitches.
Zhang Z, Hu Z, Huang L, Guo H, Dai J, Deng L, Gong G, Xia T, Sun R, Ji B, Zhu WH, Zhang J, Tian H
Thermo-Fluorescent Bactericidal Quantum Dots Based Smart Multifunctional Textiles via Molecular Surface Engineering and 3D-Printed Interlocked Architectures.
Das P, Ganguly S, Marvi PK, Muthalali M, Parniani F, Hassan S, Tang XS, Srinivasan S, Rajabzadeh AR
Thermo-pH dual-responsive nanocarriers enable multiscale-controlled resveratrol release via molecular remodeling and electronic decoupling.
Shu Q, Lin Z, Zhao W, Hua X, Huang P, Qiu Y, Li L, Luan Y
Thermodynamic and kinetic insights into the antiradical activity of epicoccone B: a computational study.
Nguyen XV, Thuy PT, Vu DM, Nong NTP, Ha NX