The newly discovered kagome superconductors represent a promising platform for investigating the interplay between band topology, electronic order and lattice geometry1,2,3,4,5,6,7,8,9. Despite extensive research efforts on this system, the nature of the superconducting ground state remains elusive10...
The photo-generated electron–hole pair, or exciton, will have a number of competing pathways, the magnitude of which has been shown to be controlled through surface modifications, and electrolyte or reactive redox species addition [14,15,42–44]. These exciton pathways, as shown in Fig. 1 ...
with the presence of the LP, they are not autonomous; they arise from the intrinsic stereochem. involvement of the LP in the geometry of and the charge distribution in the free YEL3? ion or mol. and hence from the consequences of this geometry for crystal packing. The electron d. in ...
In the centre of the discussion is the dielectric interface where the electrons are confined19,20. High-fidelity silicon qubits have been measured in Si/SiGe and Si/SiO2heterostructures3,5,6,7,8. In the case of Si/SiGe heterostructures, a thin layer of uniaxially strained silicon binds the ...
The observed results for N(CH3)3 are contrary to predictions based on commonly used intuitive arguments involving lone pairs, molecular geometry and hybridized orbitals. The present work is supportive of the view that CH3 groups are intrinsically more electron attracting than H when bonded to N.A...
The electron density in each of the outermost MOs of N(CH 3 ) 3 and NF 3 , as measured by electron momentum spectroscopy, is found to exhibit a very much higher degree of s character than the corresponding orbital in NH 3 . This behaviour is clearly predicted by MO calculations which ...
Draw the Lewis structure for SO3 and provide the following information. a. number of electron groups b. electron pair geometry c. bond angle d. number of bonded electrons e. molecular geometry f. polarity Draw the Lewis structure fo...
Therefore, ICD has been proposed to be another important factor in base-pair fragmentation [18] and DNA-strand breaks [19,20]. For example, it has been estimated that the ICD that produces radicals and LEEs may contribute up to 50% of the SSBs at the DNA–water interface during low-...
Valence Shell Electron Pair Repulsion theory does not always predict the correct geometry of molecules. Examples of exceptions include: transition metal molecules (e.g., CrO3is trigonal bipyramidal, TiCl4is tetrahedral) odd-electron molecules (CH3is planar rather than trigonal pyramidal) ...
As an example of application of the method, the transition energy of dimethylaniline (DMA) in several solvents is presented[66]. The geometry of DMA was optimized at CASSCF(8,7)/6-311G** level, and the transition energies calculated with second-order perturbation theory (CASPT2) as implemen...