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 241-252 of 3,656
AuPdPt Ternary Alloy Nanoparticles for Highly Active Hydrogen Evolution Reaction.
Maruta Y, Toriyama T, Yamamoto T, Murakami Y, Kawaguchi S, Kubota Y, Kitagawa H, Kusada K
Aurophilic interactions in a mixed-valent Au(I/III) 4-cyanothiazole complex.
Ejnik M, Ponikiewski Ł, Bruździak P, Dołęga A
Author Correction: Gate tuning of coupled electronic and structural phase transition in atomically thin Ta(2)NiSe(5).
Wei K, Luo Y, Watanabe K, Taniguchi T, Guo Y, Xi X
Automated Discovery of Algorithms for Molecular Electronic Structure Calculations Using Physics-Informed Program Synthesis.
Acheson K, Turanyi R, Habershon S
Automated Radiosynthesis of High-Molar-Activity 4-Borono-2-[(18)F]Fluorophenylalanine: Validation in Rodent Tumor Models and Nonhuman Primates.
Ye W, Hu J, Tan Z, Wei J, Liu B, Wei H, Ran W, Zhang S, Hu K, Liang SH, Zhang MR, Xu H, Wang L
Automatic Differentiation for Enhanced Potential Energy Surface Navigation: Improved Minimum and Transition State Search in Molecular Dynamics.
Roy IS, Lukas K, Mudimu EL, Towara M, Leonhard K
Autonomous closed-loop framework for reproducible perovskite solar cells.
Gao D, Lu S, Zhang C, Wang N, Yu Z, Sun X, Martin R, Vanin F, Qian L, Long N, Lüer L, Li B, Stolterfoht M, Hou J, Yin J, Lin YH, Lu H, Li N, Gasparini N, Brabec CJ, Stranks SD, Zeng XC, Zhu Z
Autonomous DNA Nanoswitch Encodes Quantum-Yield Oscillations for Time-Resolved Single-Molecule Readout.
Hu H, Ding T, Li H, Zhang N, Zheng P, Ke M, Liang L
Ba(3)BiPbREO(BO(3))(4) (RE = Pr, Nd, Gd, and Dy): two-dimensional rare-earth antiferromagnets with a geometrically-perfect triangular lattice directed by a triangular BO(3) unit.
Lv Y, Wang Y, Shi N, Huang K, Tang J, Lu H
Balancing sensitivity and environmental safety in fluorescent probe design: improved ethanol-thermal carbon dots enable a leap in mercury(II) detection and zebrafish-assessed safety.
Chen X, Zheng L, Ma R, Vo PHN, Ni J, Guo S
Band Gap Renormalization Drives Ultrafast Charge Separation and Slow Recombination in Covalently Functionalized Carbon Nanotubes: Nonadiabatic Molecular Dynamics Simulation.
Chowdhury U, Mondal S, Dey S, Das AR, Sarkar R, Chaudhary M, Vasenko AS, Prezhdo OV, Pal S
Bayesian Modeling of Polarizable Water: Lessons for Force Field Development.
Nordman AT, Engblom S, van der Spoel D