用Multiwfn计算过渡金属的d-band center（d带中心）http://sobereva.com/582（http://bbs.keinsci.com...
Multiwfn有没有处理d-band center的功能？Multiwfn目前只能处理非周期体系、Gaussian基组，但也许未来会开发...
The impact of different transition metals or compounds on the electronic structures of carbon shell lies in the modification of the energy levels and occupancies of pz orbitals of the C atoms, which can be reflected by the pz band center (εpz) defined as $$\varepsilon _{{\mathrm{pz}}...
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(BandC) Amplification of the boxed areas in A. (D) The injection site of lentiviruses into the ventricle of the telencephalon at E3. The ventricle site can be determined with reference to the developing heart, eye and midbrain. Nissl staining of the brain section corresponding to A. Scale ...
where fspan is the width of the frequency band specified using 'FrequencyLimits'. If 'FrequencyLimits' is not specified, then pspectrum uses the sample rate as fspan. RBWperformance cannot be adjusted. To compute the spectrum of a signal, the function chooses the larger of the two values, ...
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