P-band center theory guided activation of MoS2 basal S sites for pH-universal hydrogen evolutionmolybdenum disulfidep-orbital electron structurebasal S siteshydrogen evolutionsynergistic mechanismThe edge S sites of thermodynamically stable 2H MoS 2 are active for hydrogen evolution reaction (HER) but ...
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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...
74 Response theory can be viewed as a perturbation theory where the unperturbed zeroth-order state is taken as the unperturbed CC ground-state wavefunction defined with respect to a perturbation-independent reference determinant. From: Advances in Quantum Chemistry, 2016 ...
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...
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A rigorous framework for the description of heavy quarkonia production is the non-relativistic QCD (NRQCD) [4,5,6], which is based on a double series expansion of perturbation theory in the strong coupling and the relative velocity between the two constituent heavy quarks v. In this way, ...
A broadband, planar, doubly balanced monolithic Ka-band diode mixer A planar monolithic diode mixer that achieves 5-10-dB conversion loss and very low distortion and spurious responses over a 26-40-GHz RF and local oscillat... Maas,A S.,Kwo,... - 《Microwave Theory & Techniques IEEE Tr...