Calculation of the infrared frequency and the damping constant (full width at half maximum) for metal organic frameworks

Abstract

What follows is a list of articles you may be interested in Transport properties of mixing conduction in CaF 2 nanocrystals under high pressure

A molecular descriptor of a shallow potential energy surface for the ground state to achieve narrowband thermally activated delayed fluorescence emission

“…Therefore, PES serves as a pivotal means for investigating the internal mechanisms of molecules. [43][44][45][46][47][48] According to Marcus's theory, l 1 and l 2 represent the different reorganization energies (shown in Fig. 2(a)).…”

“…vibrational transition. 26 Zhang and Adachi proposed an ultrapure green emitter of 11,16,28,33,39pentakis(2-methylprop-2-yl)-19,36-dibora-1,7,24-triazatridecacyclo [21.19.2.12,6.17,18.124,35.020,43.019,47.036,44.031,45.014, 46.08,13.037,42.025,30]heptatetraconta-2(3),4,6 (47),8(9),10,12, 14 (15), 16,18(46),20 (43), 21,23(44),25 (26), 27,29,31(45), 32,34,37-(42),38,40-henicosaene (DBTN-2) based on organic boron with a highly twisted fused p-conjugated molecular design. This design concept significantly reduced the relaxation energy between the excited state and the ground state geometries, resulting in an FWHM of only 20 nm.…”