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 469-480 of 3,656
Coupled Electronic and Structural Evolution in Materials Probed by Tabletop Femtosecond Coherent XUV Absorption Spectroscopy.
Kumar V, Dharmadhikari AK, Biswas S
Coupled-cluster theory for positron binding in anions and polyatomic molecules.
Riso RR, Trabski JHM, Rossi F, Green DG, Koch H
Coupling between Thermochemical Contributions of Subvalence Correlation and of Higher-Order Post-CCSD(T) Correlation Effects─A Step toward "W5 Theory".
Barman A, Jones GH, Weflen KE, Shepelenko M, Martin JML
Coupling intramolecular singlet fission with quantum dots via triplet energy transfer for enhanced photocatalysis.
Fan X, Liu H, Li T, Wang C, Ma S, Hu H, Qiu W, Wang X, Cui B, Chen Y
Covalent Bond Locking in Semiconducting Oligomers Boosts Ultrabright NIR-II Luminescence for Deep Brain Theranostics.
Li X, Gan H, Zhang C, Gao Y, Zhang J, Su Z, Zhao Q, Feng Z, Zhong J, Wang H, Cen C, Li N, Wang Y, Qiu P, Wang K, Qian J, Li S
Covalent Organic Framework Photocatalysts: Decoding Linkage Chemistry in Hydrogen Peroxide Synthesis From Air and Water.
Chen Y, Mu X, Ji S, Kuo KA, Wang T, Guo Y, Tsutsui Y, Yan N, Seki S, Chen X, Jiang D
Covalent organic frameworks for ratiometric fluorescent monitoring copper corrosion in tin bronze.
Lu H, Guan C, Guo L
Critical evaluation of two neutron structures of Mn superoxide dismutase with quantum refinement.
Lundgren KJM, Bergmann J, Oksanen E, Ryde U
Critical point search and linear response theory for computing electronic excitation energies of molecular systems. I. General framework, application to Hartree-Fock and DFT.
Grazioli L, Hu Y, Cancès E
Crystal-Field Properties of Pentalene Ligands in Erbium(III) Sandwich Complexes.
De S, Mondal A, Cloke FGN, Tang J, Layfield RA
Crystalline nitrogen chain radical anions.
Lister-Roberts R, Galano D, van IJzendoorn B, Whitehead GFS, Brookfield A, Bowen AM, Kaltsoyannis N, Mehta M
Crystalline Small Molecule-Polymer Superlattice for Spatially Isolated Tetrathiafulvalene Spin Qubit Arrays.
Li L, Sun Z, Wang X, Zhang L, Chen Z, Gu Q, Yang J, Cui Y, Peng YK, Sun L, Zhang Q