Structure and vibrational spectra of formamidinium bromide
Zamolotskikh, Semyon; Smirnov, Mikhail; Pankin, Dmitrii; Roginskii, Evgenii;
Structure and vibrational spectra of formamidinium bromide
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.
CH(NH2)2, Formamidinium bromide
CH(NH2)2, Formamidinium bromide
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