Quantum chemical studies on molecular structure, spectroscopic (IR, Raman, UV-Vis), NBO and Homo-Lumo analysis of 1-benzyl-3-(2-furoyl) thiourea

Ingeniería y ciencia de los materiales

• Thioureas 100%
• Molecular structure 76%
• Molecules 57%
• Vibrational spectra 46%
• Molecular interactions 44%
• Density functional theory 44%
• Absorption spectra 43%
• Raman scattering 42%
• Charge transfer 37%
• Discrete Fourier transforms 32%
• Electrostatics 31%
• Methanol 30%
• Electrons 29%
• Derivatives 24%

Física y astronomía

• thioureas 79%
• molecular structure 62%
• orbitals 41%
• molecular interactions 36%
• electronic spectra 34%
• vibrational spectra 33%
• visible spectrum 32%
• molecules 31%
• methyl alcohol 30%
• vibration mode 26%
• charge transfer 25%
• density functional theory 22%
• Raman spectra 22%
• electrostatics 22%
• absorption spectra 21%
• electrons 12%
• interactions 11%

Química

• Natural Bond Orbital 71%
• Thiourea 56%
• Molecular Structure 41%
• Electron Delocalization 37%
• UV/VIS Spectroscopy 37%
• Density Functional Theory 36%
• Electrostatic Potential 30%
• Vibrational Spectrum 28%
• IR Spectrum 25%
• Ultraviolet Spectrum 24%
• Raman Spectrum 24%
• Absorption Spectrum 21%
• Molecule 20%
• Charge Transfer 20%
• Methanol 17%
• Time 10%