Quantum Chemistry
9,662 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 2365-2376 of 9,662
Novel π-extended cationic meso-arylporphyrins as photosensitizers for photodynamic therapy: Synthesis, photoinduced toxicity and in vivofluorescence.
Zhdanova KA, Savelyeva IO, Markova AA, Nguyen MT, Egorov AE, Voitova AV, Rybkin AY, Filatova NV, Bondarenko SD, Mishchenko DV, Gradova MA, Karpechenko NY, Maksimova VP, Popova VG, Govorov ND, Bezborodova OA, Kuzmin VA, Bragina NA
Nuclear Binding Energies from Composite-Knot Ropelength: A Topological Model That Mirrors Quantum-Mechanical Phenomenology
Thomas Riedel
Nuclear Quantum Effects Suppress Nonradiative Recombination in Hybrid Perovskites beyond Isotope Mass Effects
Zihang Liu, Jiao Wang, Run Long
Nuclear quantum effects and vibrational resonances in organic hydrates: theoretical and experimental insights from DMSO monohydrate.
Botti G, Mandelli G
Nuclear quantum effects in condensed phase: The case of the "association band" of liquid water.
Cazzaniga M, Moscato D, Conte R, Ceotto M
Nuclear Quantum Effects in Multi-Step Condensed Matter Chemistry: A Thermostatted Ring Polymer Molecular Dynamics Study of Thermal Decomposition.
Macatangay J, Strachan A
Nuclear-electronic orbital quasiclassical trajectory method for vibrational spectroscopy.
Aieta C, Garner SM, Liu A, Li X, Hammes-Schiffer S
Nucleophilic substitution at silicon under vibrational strong coupling: refined insights from a high-level ab initio perspective.
Frerick NO, Roemelt M, Fischer EW
Numerical and Analytical Methodologies.
Urbič T, Plazl I
O(2)-Accessible Fe-N(4) Active Site Density Boosts Efficient Oxygen Reduction to Fuel-Cell Level.
Zhang T, Liang C, Sun S, Xi S, Zhuang Z, Yuan J, Guo ZX, Liu J
Observation of Counterion Binding in the Inner Helmholtz Layer at the Ionic Surfactant-Water Interface.
Peng Y, Gu F, Tian C
Observation of Floquet-induced gap in graphene.
Wang F, Cai X, Tang X, Lu J, Chen W, Sheng T, Feng R, Zhong H, Zhang H, Yu P, Zhou S