adiabatic transition statesminimum energy crossing pointspin-forbidden reactionsspin-orbit couplingtransition metal oxo reactivitySpin‐forbidden reactions are frequently encountered when first row transition metal﹐xo species are involved. One possible approach to describe these challenging reactions is the so...
Fine structure and radiative lifetime of the low-lying triplet states of the helium excimer The electric dipole transition moments for the spin-forbidden transitionsa3Σu→X1Σgand 13Πu→X1Σgare calculated by the quadratic response method, taking... Minaev,Boris - 《Physical Chemistry Chemical ...
Electronic transitions between states of different spin multiplicity are ‘spin-forbidden’ which means that they are less probable than spin-allowed transitions. However, spin-forbidden transitions become more probable when spin–orbit coupling increases. The factors that increase the probability of phosph...
In this relaxation path, the electron spin transition energy exactly matches that of a phonon (Fig. 2, bottom). At low temperatures, i.e., well below the Debye temperature, the phonon density of states results in a linear increase of the direct process relaxation time Tdir−1 with ...
CCBA AND CRC ANALYSISHigh-spin states up to (29/2+) and (29/2-) in 71As have been studied via the 58Ni(19F,α2p) reaction at 62 MeV using ... R.,S.,Zighelboim,... - 《Physical Review C》 被引量: 48发表: 1994年 Use of Cation-Exchange Resins in Organic Reactions. II. C...
Nonadiabatic transition state theory: Application to intersystem crossings in the active sites of metal-sulfur proteinsdoi:10.1002/qua.25124Nonadiabatic transition state theory (NA-TST) is a powerful tool to investigate the nonradiative transitions between electronic states with different spin ...
摘要: We attempted to establish a qualitative classification of reactivities for various reactions by examining the nature of the corresponding transition matrix elements. We extended the idea to charge localization behavior in some highly polarizable systems and nature of bonding in hypervalent molecules....
10 showed that the reactivity of metal surfaces is dependent on their magnetic states. Using first-principles methods, they noted that in the case of adsorption of H2 on a ferromagnetic Fe surface, there is an asymmetry in the Fe-H2 interaction for majority and minority spin channels. Such ...
5doxides have recently gathered a lot of attention due to the possibility of new electronic ground states resulting from the interplay between spin orbit and Coulomb interactions1. The strong spin orbit interaction due to the large atomic number 5delement splits thedbands allowing for the moderate...
关键词: n68931* --physics (nuclear, experimental)--nuclear properties & reactions, 190 <= a <= 219--energy levels & transitions gold 198-- energy-level transitions branching ratio electrons energy levels energy spectra gamma spectra internal conversion isomeric nuclei k conversion 年份: 1973 ...