机译:Ultrafast Vibrational Spectroscopy of Aqueous Solution of Methylamine from First Principles MD Simulations
Indian Inst Technol Hyderabad, Dept Chem, Telangana 502285, India;
Aqueous Methylamine; FPMD; Hydrogen bond dynamics; Vibrational spectral diffusion; Wavelet analysis; HYDROGEN-BOND DYNAMICS; DENSITY-FUNCTIONAL THEORY; SOLVATION FREE-ENERGIES; MOLECULAR-DYNAMICS; LIQUID WATER; SPECTRAL DIFFUSION; INFRARED-SPECTROSCOPY; PROTEIN STABILITY; AMINE HYDRATION; MONTE-CARLO;