Quantum Chemistry
9,538 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 2293-2304 of 9,538
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
Observation of Microscopic Domain Effects in the Metal-Insulator Transition of Thin-Film NdNiO(3).
Nathwani LS, Ruperto A, Vallipuram A, Jiang AY, Pan GA, Segedin DF, Turkiewicz AB, Brooks CM, Mason JA, Song Q, Mundy JA
Observation of Moiré Trapped Biexciton Through Sub-Diffraction-Limit Probing Using Hetero-Bilayer on Nanopillar.
Chhaperwal M, Chatterjee S, Puliyassery S, Manattayil JK, Biswas R, Hays P, Tongay SA, Raghunathan V, Majumdar K
Observation of Photophysical Processes of a Heptacene Derivative: Monomeric Behavior in Homogeneous Solution and Singlet Fission in Thin Film.
Suzuki S, Sakai H, Yamauchi M, Hayashi H, Mizuhata Y, Kato T, Hirose T, Hasobe T, Yamada H