Structure and vibrational spectra of formamidinium bromide
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1) FABr-CRYSTAL-Raman-IR.outDescription:Output IR and RAMAN intensities and eigenvalues for FABr (FA=CH(NH2)2) crystal calculated using CRYSTAL programm and PBESOL functional in the next basis:1 4 H_pob_TZVP_rev26 8 C_pob_TZVP_rev235 15 Br_pob_TZVP_rev22) FABr.cifDescription:Cif-file with optimized geometry of FABr.
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Zenodo创建时间：
2026-03-04
