Congestion
发表于 2025-3-30 10:08:14
Non-Adiabatic Photoprocesses of Fundamental Importance to Chemistry: From Electronic Relaxation of A molecules, in which the biradical (π σ*) state of bent geometry lies substantially above the optically prepared ππ* state, do not exhibit intramolecular charge transfer even in highly polar solvents
tackle
发表于 2025-3-30 16:17:34
Multiconfigurational quantum chemistry for ground and excited states,) method to any arrangement of the electrons. The addition of dynamic electron correlation is as crucial here as it is in the HF method. The suggested solution is to compute this energy using second order perturbation theory (CASPT2) because it is relatively simple and allows applications to a wide
愤愤不平
发表于 2025-3-30 19:48:57
Relativistic Multireference Perturbation Theory: Complete Active-Space Second-Order Perturbation Thed. The obtained spectroscopic constants are compared with experimental findings and previous theoretical works. For all the molecules, the spectroscopic constants of DC-CASPT2 show reasonably good agreement with the experimental or previous theoretical spectroscopic constants
Etymology
发表于 2025-3-30 21:15:24
Decay Pathways of Pyrimidine Bases: From Gas Phase to Solution,s, both prior to and after our work. The long lifetime of the dark state implies that in the early stages of life’s evolution prior to the formation of the ozone layer, the abundant UV flux should have limited the existence of these bases, let alone their evolution into complex secondary structures.
很像弓]
发表于 2025-3-31 01:08:47
Computational Study of UV-Induced Excitations of DNA Fragments,are instrumental for such nonradiative deactivation. Though, theory and experiments are complementary to each other, but the experimental progress in studying excited state properties are far ahead compared to the theoretical methods. For example, it is still very challenging for an extensive invest
藕床生厌倦
发表于 2025-3-31 08:19:18
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Arable
发表于 2025-3-31 10:11:59
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Hdl348
发表于 2025-3-31 13:40:25
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Precursor
发表于 2025-3-31 17:39:15
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LAP
发表于 2025-3-31 23:10:17
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