Abstract Spectroscopic analysis of 1-(2-fluorophenyl)-3-[3-(trifluoromethyl) phenyl] thiourea
(FPTT) is reported. Experimental and theoretical analyses of FPTT, with molecular dynamics …

Quantum chemical computations and in silico biological evaluation of three substituted
thiourea derivatives namely (4-nitrophenyl) thiourea (NPT),(3, 5-dimethylphenyl) thiourea …

IR and Raman spectra of 1-[3-(1H-imidazol-1-yl) propyl]-3-phenylthiourea (HIPPT) have
been recorded in the solid phase and the vibrational wave numbers are calculated …

The wavenumbers, molecular structure, molecular electrostatic potential, nonlinear optical
properties and natural bond orbital analysis of a thiourea derivative, 1-(3, 4-dichlorophenyl) …

Abstract A novel thiourea derivative, 1-(3-bromophenyl)-3-[3-(trifluoromethyl) phenyl]
thiourea (ANF-22) is synthesized and characterized by FTIR, FT-Raman and NMR …

The title compound 1-(3-chloro-4-fluorophenyl)-3-[3-(trifluoromethyl) phenyl] thiourea (ANF-
2) was synthesized and structurally characterized by single crystal XRD. The optimized …

Spectroscopic profiling in terms of FT-IR, FT-Raman, UV–vis and NMR in addition to
reactivity study by density functional theory (DFT) and molecular dynamics (MD) simulations …

Vibrational and electronic spectra for 1-benzyl-3-(2-furoyl) thiourea were calculated by using
density functional method (B3LYP) with different basis sets. The complete assignment of all …

This manuscript presents the computational and experimental studies of a new thiourea
derivative 1-(4-chloro-3-nitrophenyl)-3-(3, 4-dichlorophenyl) thiourea (CNDCT). Scaled …

The most prevalent kind of cancer and the main reason for cancer-related deaths in women
is breast cancer. Synergistic drug delivery plays an effective role in the treatment of cancer …